SCHEMBL7545137

SCHEMBL7545137

CCC(Oc1ccc(N(CC)C(C)=O)c(C)c1)c1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.45
▸ NPC1 O15118 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ BRCA1 P38398 1/20 0.41
▸ ENPP1 P22413 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ ALOX5 P09917 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ EPHX2 P34913 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CASR P41180 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A2 P05177 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
SCHEMBL8670328 0.81 RAB9A (0.41) RAB9AHSD17B10ALDH1A1ENPP1PKM
SCHEMBL7544482 0.80 NPC1 (0.60) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL7550252 0.80 ALOX5 (0.50) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7550290 0.75 RAB9A (0.53) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7548365 0.71 NPC1 (0.58) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL7543038 0.71 NPC1 (0.58) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL7544421 0.70 NPC1 (0.54) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL7548743 0.69 NPC1 (0.56) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL7547264 0.69 NPC1 (0.52) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL7542416 0.69 NPC1 (0.55) RAB9ANPC1MAPK1MEN1KMT2A

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-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 — — EP disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 — — EP disclosed
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