SCHEMBL19781784

SCHEMBL19781784

Cc1cc2ncc(C)n2cc1Br

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
TGFBR1 P36897 1/20 0.33
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20985980 0.86 TGFBR1 (0.34) TGFBR1TSHRKDM4ENPC1ALDH1A1
SCHEMBL407720 0.81 TRPA1 (0.33) TRPA1
SCHEMBL22072385 0.81 GABRA1 (0.37) TGFBR1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL24460464 0.79 PIK3CA (0.39) TGFBR1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL19781568 0.79 NOS3 (0.33) TGFBR1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL20049572 0.78 NPC1 (0.33) TGFBR1NPC1RAB9ASMN1; SMN2
SCHEMBL20049571 0.78 PRMT5 (0.32) TGFBR1
SCHEMBL1870362 0.78 PIK3CB (0.32) TRPA1ALDH1A1
SCHEMBL31646997 0.78 SCN5A (0.40) TRPA1
SCHEMBL24215339 0.77 PDE10A (0.41) TGFBR1KDM4ENPC1ALDH1A1LMNA

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
WO-2022108849-A1 HETEROCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ARISAN THERAPEUTICS INC. (US) 2022-05-27 WO disclosed
WO-2020117794-A1 COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS, INC. (US) 2020-06-11 WO disclosed
WO-2018013430-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2018-01-18 WO disclosed