SCHEMBL7004914

SCHEMBL7004914

Cc1sc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(N)=O)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.61
▸ RAB9A P51151 5/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ CSNK2A2 P19784 5/20 0.60
▸ CSNK2B P67870 5/20 0.60
▸ CSNK2A1 P68400 5/20 0.60
▸ CSNK2A3 Q8NEV1 5/20 0.60
▸ MAPT P10636 5/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ POLB P06746 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MAOA P21397 1/20 0.53
▸ MAOB P27338 1/20 0.53

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
SCHEMBL7674903 0.77 GAA (0.61) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7001604 0.77 MAPT (0.63) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5794137 0.75 ALDH1A1 (0.78) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL15731000 0.74 ALDH1A1 (0.76) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL6997315 0.73 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL4970562 0.73 MAOB (0.82) NPC1RAB9ASMN1; SMN2CSNK2A2CSNK2B
SCHEMBL8645195 0.72 LMNA (0.67) NPC1RAB9ASMN1; SMN2CSNK2A2CSNK2B
SCHEMBL29569747 0.72 KDM4E (0.74) NPC1RAB9ASMN1; SMN2L3MBTL1CSNK2A2
SCHEMBL1532188 0.72 KDM4E (0.74) NPC1RAB9ASMN1; SMN2L3MBTL1CSNK2A2
SCHEMBL13744490 0.71 RAB9A (0.57) NPC1RAB9ASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 — — EP claimed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 — — US claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 — — WO claimed
Send feedback