SCHEMBL8633923

SCHEMBL8633923

c1ccc(CSc2ccsc2C2=NOCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PKM P14618 3/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL8631968 0.79 POLB (0.42) SMN1; SMN2ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL3783930 0.73 CA12 (0.42) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL27455985 0.73 POLB (0.41) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8633533 0.69 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2990110 0.69 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1CYP2C9PKMTDP1
SCHEMBL19114413 0.69 POLB (0.56) PTPRCSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL3259116 0.68 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8629611 0.68 NPC1 (0.42) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8629590 0.68 MAPT (0.41) SMN1; SMN2ALDH1A1CYP3A4CYP2C19PKM
SCHEMBL8630244 0.66 MAPT (0.37) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6

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 7 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
EP-0645386-B1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1997-12-29 EP 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
CN-1108656-A N-azinyl-N'-(HET)arylsulphonyl-ureas BAYER AG (DE) 1995-09-20 CN disclosed
EP-0645386-A1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1995-03-29 EP disclosed