SCHEMBL6617216

SCHEMBL6617216

C=CCNC(=O)n1nc(-c2ccc(NC(=O)c3ccccc3Cl)cc2O)cc1C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NR2E3 Q9Y5X4 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ SMO Q99835 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CRACR2A Q9BSW2 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL6617922 0.90 MAPT (0.45) LMNAMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL6617161 0.89 ALDH1A1 (0.42) HPGDCYP3A4CRACR2AALDH1A1
SCHEMBL6617735 0.89 PKM (0.42) LMNAMAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL6615953 0.88 CHRM5 (0.41) LMNAMAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL6617337 0.88 CNR1 (0.39) HPGDLMNAMAPTMAPK1RAB9A
SCHEMBL6603314 0.88 PPARG (0.40) HPGDLMNAMAPTMAPK1RAB9A
SCHEMBL6622540 0.86 RAB9A (0.44) HPGDLMNAMAPTMAPK1RAB9A
SCHEMBL6619502 0.85 ACKR3 (0.42) LMNAMAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL6616448 0.85 EPHX2 (0.40) HPGDLMNAMAPTMAPK1RAB9A
SCHEMBL6620569 0.85 CNR1 (0.41) LMNAMAPTMAPK1RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO disclosed
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