SCHEMBL8632270

SCHEMBL8632270

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
TSHR P16473 6/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.41
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
GFER P55789 1/20 0.38
GPR35 Q9HC97 1/20 0.38
LMNA P02545 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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 0.89 GPR35 (0.42) L3MBTL1TSHRALDH1A1USP2MEN1
SCHEMBL8630118 0.85 PIK3CD (0.41) L3MBTL1TSHRALDH1A1USP2MEN1
SCHEMBL8632527 0.83 ALDH1A1 (0.43) L3MBTL1TSHRALDH1A1USP2MEN1
SCHEMBL8629685 0.80 ABCG2 (0.39) ALDH1A1GPR35ABCB1ABCG2SMN1; SMN2
SCHEMBL8626593 0.78 MAPT (0.39) L3MBTL1TSHRALDH1A1GAAMEN1
SCHEMBL5193130 0.77 MAPT (0.48) L3MBTL1ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL8630938 0.77 S1PR1 (0.45) TSHRALDH1A1GAAUSP2MEN1
SCHEMBL8631751 0.75 ALDH1A1 (0.47) L3MBTL1ATMTSHRALDH1A1GAA
SCHEMBL8630090 0.74 NTRK1 (0.46) L3MBTL1TSHRALDH1A1USP2MEN1
SCHEMBL8627539 0.74 SLC2A1 (0.49) ATMTSHRALDH1A1GAAUSP2

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
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5696257-A INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 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