SCHEMBL6497749

SCHEMBL6497749

CC(C)c1cc(O)nc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
ADORA3 P0DMS8 3/20 0.40
ATM Q13315 1/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 4/20 0.37
PKM P14618 1/20 0.37
GCGR P47871 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36

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
SCHEMBL4808706 0.85 CNR1 (0.38) TSHRCYP1A2CYP2C19CYP3A4
SCHEMBL6506138 0.85 MEN1 (0.39) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL19718861 0.83 MEN1 (0.44) MAPTTP53KMT2AADORA3MEN1
SCHEMBL6495195 0.83 NPC1 (0.44) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL3161969 0.82 NPC1 (0.54) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL6495791 0.80 MKNK1 (0.42) NPC1RAB9A
SCHEMBL6494415 0.73 NPC1 (0.42) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL2609386 0.72 MAPT (0.51) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL28827842 0.72 NPC1 (0.52) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL6494121 0.71 ALDH1A1 (0.51) NPC1RAB9AMAPTTP53KMT2A

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
US-6844347-B1 Cyclic guanosine monophosphate modulators; cardiovascular diseases; guanylate cyclase activation AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-18 US disclosed
EP-1112266-B1 SUBSTITUTED 4-AMINO-2-ARYL-PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME AVENTIS PHARMA GMBH (DE) 2003-05-14 EP disclosed
EP-1112266-A1 SUBSTITUTED 4-AMINO-2-ARYL-PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2001-07-04 EP disclosed
WO-2000009496-A1 SUBSTITUTED 4-AMINO-2-ARYL-PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-02-24 WO disclosed