SCHEMBL7348632

SCHEMBL7348632

[CH2]c1cccc(C(=O)Nc2ccccn2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.66
▸ NPC1 O15118 9/20 0.66
▸ SIRT2 Q8IXJ6 1/20 0.61
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ TLR4 O00206 1/20 0.56
▸ TLR2 O60603 1/20 0.56
▸ PKM P14618 5/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ TSHR P16473 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ F2 P00734 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ GAA P10253 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL997866 0.82 RAB9A (0.89) RAB9ANPC1MEN1KMT2APKM
SCHEMBL29366822 0.82 RAB9A (0.89) RAB9ANPC1MEN1KMT2APKM
SCHEMBL28671588 0.82 GRM5 (0.67) RAB9ANPC1SIRT2MEN1KMT2A
SCHEMBL19332885 0.82 NPC1 (0.66) RAB9ANPC1SIRT2MEN1KMT2A
SCHEMBL30643223 0.82 GRM5 (0.67) RAB9ANPC1SIRT2MEN1KMT2A
SCHEMBL7096171 0.82 RAB9A (0.66) RAB9ANPC1SIRT2MEN1KMT2A
SCHEMBL2943454 0.82 RAB9A (0.66) RAB9ANPC1SIRT2MEN1KMT2A
SCHEMBL8556579 0.82 GRM5 (0.67) RAB9ANPC1SIRT2MEN1KMT2A
SCHEMBL30362429 0.82 MEN1 (0.72) RAB9ANPC1SIRT2MEN1KMT2A
SCHEMBL16996704 0.82 RAB9A (0.66) RAB9ANPC1SIRT2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837855-A4 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS DU PONT MERCK PHARMA (US) 1998-09-02 — — EP claimed
CN-1192209-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas DU PONT MERCK PHARMA (US) 1998-09-02 — — CN claimed
EP-0837855-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-29 — — EP claimed
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 — — EP claimed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 — — US claimed
WO-1997008150-A1 SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-06 — — WO claimed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 — — WO claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 — — US claimed
EP-1029859-A1 N,N'-Disubstituted unsymmetrical cyclic urea and its use in therapy Dupont Pharmaceuticals Company (US) 2000-08-23 — — EP disclosed
EP-0837855-A4 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS DU PONT MERCK PHARMA (US) 1998-09-02 — — EP disclosed
CN-1192209-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas DU PONT MERCK PHARMA (US) 1998-09-02 — — CN disclosed
US-5763469-A Substituted cyclic ureas and derivatives thereof useful as retroviral protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-09 — — US disclosed
EP-0837855-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-29 — — EP disclosed
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 — — EP disclosed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 — — US disclosed
WO-1997008150-A1 SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-06 — — WO disclosed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 — — WO disclosed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 — — US disclosed
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