SCHEMBL19475338

SCHEMBL19475338

O=C[C@@H](Br)c1ccc(OCc2csc(-c3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
RAB9A P51151 8/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 6/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL4036753 0.82 ALDH1A1 (0.55) RAB9AMAPTALDH1A1NPC1KDM4E
SCHEMBL19475521 0.82 RAB9A (0.49) RAB9AMAPTALDH1A1NPC1KDM4E
SCHEMBL9427325 0.78 ALDH1A1 (0.48) ALOX5RAB9AMAPTALDH1A1NPC1
SCHEMBL9428612 0.77 PTGS2 (0.51) ALOX5RAB9AMAPTALDH1A1NPC1
SCHEMBL13140274 0.77 FFAR1 (0.53) ALOX5RAB9AMAPTALDH1A1NPC1
SCHEMBL41221 0.77 LMNA (0.51) ALOX5RAB9AMAPTL3MBTL1GAA
SCHEMBL6527094 0.77 RAB9A (0.62) RAB9AMAPTALDH1A1NPC1KDM4E
SCHEMBL9427556 0.76 RAB9A (0.49) ALOX5RAB9AMAPTALDH1A1NPC1
SCHEMBL4034509 0.76 RAB9A (0.56) RAB9AMAPTALDH1A1NPC1KDM4E
SCHEMBL4039765 0.76 CYSLTR1 (0.53) RAB9AMAPTALDH1A1NPC1KDM4E

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
WO-2017184520-A1 SUBSTITUTED AND FUSED 6-MEMBERED PROTEASE ACTIVATED RECEPTOR 4 (PAR-4) ANTAGONISTS VANDERBILT UNIVERSITY (US) 2017-10-26 WO disclosed