SCHEMBL8633533

SCHEMBL8633533

c1ccc(CSCc2ccccc2C2=NOCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PTGER1 P34995 2/20 0.33
PTGER4 P35408 2/20 0.33
PTGER3 P43115 2/20 0.33
PTGER2 P43116 2/20 0.33
CREBBP Q92793 1/20 0.33
GLA P06280 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 3/20 0.32
APOBEC3G Q9HC16 1/20 0.32
METAP2 P50579 1/20 0.31
MAPT P10636 3/20 0.31
TERT O14746 1/20 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
SCHEMBL8631968 0.82 POLB (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1METAP2
SCHEMBL2990110 0.75 ALDH1A1 (0.46) ALDH1A1RAB9ASMN1; SMN2CYP2C9GAA
SCHEMBL8629611 0.74 NPC1 (0.42) ALDH1A1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL3783930 0.74 CA12 (0.42) ALDH1A1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL3259116 0.71 SMN1; SMN2 (0.35) ALDH1A1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL8633929 0.70 ALOX5AP (0.36) LMNA
SCHEMBL8629590 0.70 MAPT (0.41) ALDH1A1RAB9ASMN1; SMN2CYP2C19CYP3A4
SCHEMBL8633923 0.69 PTPRC (0.44) ALDH1A1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL8795485 0.68 LMNA (0.39) ALDH1A1RAB9ASMN1; SMN2GAANPC1
SCHEMBL7840064 0.67 CYP2D6 (0.38) ALDH1A1RAB9ASMN1; SMN2CYP2C19CYP1A2

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