SCHEMBL6619861

SCHEMBL6619861

Cc1ccc(C(=O)NCCCC#N)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.56
▸ ALDH1A1 P00352 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ PTPN5 P54829 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ MTOR P42345 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL31055452 0.79 HPGD (0.59) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL19121368 0.79 KMT2A (0.55) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL13753864 0.76 HPGD (0.68) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL30091505 0.75 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL22273087 0.75 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4633788 0.73 NPC1 (0.60) HPGDSMN1; SMN2RAB9ANPC1POLB
SCHEMBL22580602 0.73 KMT2A (0.61) ALDH1A1SMN1; SMN2POLBMAPTKDM4E
SCHEMBL1878372 0.73 HPGD (0.62) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL1459847 0.72 HPGD (0.58) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL18329647 0.71 SMN1; SMN2 (0.61) HPGDALDH1A1SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683781-B1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE METABASIS THERAPEUTICS INC (US) 2004-04-21 — — EP disclosed
US-5731432-A Inhibitors of adenosine monophosphate deaminase GENSIA SICOR INC. (US) 1998-03-24 — — US disclosed
EP-0683781-A4 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE. GENSIA PHARMA (US) 1997-05-28 — — EP disclosed
EP-0683781-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA PHARMACEUTICALS, INC. (US) 1995-11-29 — — EP disclosed
WO-1994018200-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA, INC. (US) 1994-08-18 — — WO disclosed
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