SCHEMBL7658349

SCHEMBL7658349

CSCc1ccc(CBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
NOS1 P29475 1/20 0.32
IDO1 P14902 6/20 0.31

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
SCHEMBL5209430 0.86 MAPT (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2030465 0.79 IDO1 (0.50) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL21765871 0.78 HRH3 (0.42) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL131361 0.76 ALDH1A1 (0.67) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL10299392 0.76 IDO1 (0.52) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL515186 0.76 MAPT (0.56) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11547033 0.74 ESR1 (0.50) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL15962378 0.74 LMNA (0.41) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1145094 0.74 SLC6A4 (0.52) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL514209 0.74 ALDH1A1 (0.50) ALDH1A1TSHRMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019051222-A1 BENZENE FUSED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2019-03-14 WO disclosed
US-6384061-B1 HYDANTOIN COMPOUNDS REPRESENTED BY FORMULA (I) WHICH SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE, AND THUS CAN BE USED AS AN ANTI-CANCER AGENT, OR PHARMACEUTICALLY ACCEPTABLE SALTS LG CHEMICAL LTD. (KR) 2002-05-07 US disclosed
EP-1000036-A1 HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE LG CHEMICAL LIMITED (KR) 2000-05-17 EP disclosed
WO-1999005117-A1 HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE LG CHEMICAL LTD. (KR) 1999-02-04 WO disclosed