SCHEMBL8628371

SCHEMBL8628371

Cc1ccc(-c2cccc3nc(-c4ccc(Br)c(C)c4)[nH]c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.44
▸ RAB9A P51151 8/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ PKM P14618 3/20 0.44
▸ TNKS O95271 2/20 0.40
▸ PARP1 P09874 2/20 0.40
▸ TNKS2 Q9H2K2 2/20 0.40
▸ HPGD P15428 3/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ TYMP P19971 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ GFER P55789 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL8628376 0.80 MGAM (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12636735 0.74 TNKS (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8202622 0.74 MEN1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28473608 0.73 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28242995 0.73 MGAM (0.42) NPC1RAB9ASMN1; SMN2KDM4ETNKS
SCHEMBL7146757 0.73 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28136411 0.72 TNKS (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14091252 0.72 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL230980 0.71 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL30872095 0.71 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0818562-A1 Composition for treating copper and copper alloy surfaces and method for the surface treatment MEC CO., Ltd. (JP) 1998-01-14 — — EP disclosed
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