SCHEMBL8629685

SCHEMBL8629685

COc1nc(-c2ccccc2NC(=O)O)nc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.39
ABCB1 P08183 3/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TACR1 P25103 1/20 0.37
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL8651447 0.87 GPR35 (0.42) ABCG2ABCB1MAPTSMN1; SMN2HTT
SCHEMBL8630118 0.83 PIK3CD (0.41) ABCG2ABCB1MAPTSMN1; SMN2HTT
SCHEMBL8632527 0.81 ALDH1A1 (0.43) ABCG2ABCB1MAPTSMN1; SMN2HTT
SCHEMBL8632270 0.80 L3MBTL1 (0.48) ABCG2ABCB1SMN1; SMN2ALDH1A1GPR35
SCHEMBL5193130 0.75 MAPT (0.48) ABCG2ABCB1MAPTSMN1; SMN2HTT
SCHEMBL8631751 0.73 ALDH1A1 (0.47) MAPTSMN1; SMN2HTTRAB9AALDH1A1
SCHEMBL8630090 0.72 NTRK1 (0.46) ABCG2ABCB1MAPTSMN1; SMN2HTT
SCHEMBL8540029 0.72 MAPT (0.48) ABCG2MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL8628783 0.71 RAB9A (0.49) ABCG2MAPTSMN1; SMN2HTTRAB9A
SCHEMBL8794497 0.71 HSD17B10 (0.38) SMN1; SMN2HTTRAB9APAX8ALDH1A1

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
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5580842-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
US-5476936-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-12-19 US disclosed