SCHEMBL7495307

SCHEMBL7495307

O=C(C=Cc1ncc[nH]1)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
AHR P35869 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CXCL12 P48061 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7495298 1.00 KMT2A (0.55) KMT2APTGS1PTGS2NPC1RAB9A
SCHEMBL7502141 0.84 HSP90AA1 (0.60) KMT2APTGS1PTGS2MAPTKDM4E
SCHEMBL7502155 0.84 HSP90AA1 (0.60) KMT2APTGS1PTGS2MAPTKDM4E
SCHEMBL7503407 0.83 NPC1 (0.55) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL7503415 0.83 NPC1 (0.55) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL7506088 0.83 NPC1 (0.58) KMT2APTGS1PTGS2NPC1RAB9A
SCHEMBL7506086 0.83 NPC1 (0.58) KMT2APTGS1PTGS2NPC1RAB9A
SCHEMBL7501148 0.83 GPR52 (0.43) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL7504814 0.83 MAPT (0.55) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL7501158 0.83 GPR52 (0.43) KMT2ANPC1RAB9AMAPTLMNA

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-0924202-B1 Imidazole derivative and medicine comprising the same as active ingredient SSP CO LTD (JP) 2002-05-29 EP disclosed
US-6071943-A IMMUNOMODULATORS WHICH SUPPRESS SPECIFIC CYTOKINES, FOR AUTOIMMUNE DISEASES SSP CO. LTD. (JP) 2000-06-06 US disclosed
EP-0924202-A1 Imidazole derivative and medicine comprising the same as active ingredient SSP Co., Ltd. (JP) 1999-06-23 EP disclosed