SCHEMBL9507339

SCHEMBL9507339

c1ccc(CCc2cccc(-c3ncco3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.53
▸ LTA4H P09960 1/20 0.47
▸ CES1 P23141 4/20 0.44
▸ FAAH O00519 1/20 0.43
▸ NCEH1 Q6PIU2 1/20 0.43
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NR3C2 P08235 1/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ KCNJ1 P48048 1/20 0.38
▸ TRPM4 Q8TD43 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 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
SCHEMBL12648428 0.82 NOTUM (0.50) HPGDSLTA4HADORA2AADORA1HCRTR1
SCHEMBL9863754 0.82 HPGDS (0.46) HPGDSLTA4HCES1ADORA2AADORA1
SCHEMBL28164766 0.82 HPGDS (0.46) HPGDSLTA4HADORA2AADORA1HCRTR1
SCHEMBL1804513 0.82 PRKCI (0.53) HPGDSLTA4HADORA2AADORA1HCRTR1
SCHEMBL9454674 0.82 HPGDS (0.46) HPGDSLTA4HCES1ADORA2AADORA1
SCHEMBL2152660 0.81 HPGDS (0.61) HPGDSLTA4HCES1FAAHMAOA
SCHEMBL3964365 0.80 HPGDS (0.58) HPGDSLTA4HTRPM4HDAC4
SCHEMBL6221648 0.79 HPGDS (0.44) HPGDSLTA4HCES1FAAHNCEH1
SCHEMBL301469 0.78 HPGDS (0.71) HPGDSLTA4HCES1HDAC4NPC1
SCHEMBL16383003 0.78 HPGDS (0.43) HPGDSLTA4HADORA2AADORA1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297804-B1 SILVER HALIDE PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL KONICA CORPORATION (JP) 1993-08-18 — — EP disclosed
US-4863846-A SULFUR KONICA CORPORATION (JP) 1989-09-05 — — US disclosed
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