SCHEMBL8629611

SCHEMBL8629611

Cc1cccc(C2=NOCCO2)c1SCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
EGFR P00533 2/20 0.42
ELANE P08246 1/20 0.37
S100A4 P26447 1/20 0.36
METAP2 P50579 3/20 0.35
MAPT P10636 3/20 0.35
PKM P14618 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TERT O14746 1/20 0.33
HTT P42858 1/20 0.33

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 0.80 POLB (0.42) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL27455985 0.80 POLB (0.41) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL2990110 0.76 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2TDP1PKM
SCHEMBL8629590 0.74 MAPT (0.41) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL8633533 0.74 ALDH1A1 (0.33) NPC1RAB9ASMN1; SMN2HPGDMETAP2
SCHEMBL3783930 0.72 CA12 (0.42) NPC1RAB9ASMN1; SMN2MAPK1METAP2
SCHEMBL3259116 0.72 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL8633923 0.68 PTPRC (0.44) NPC1RAB9ASMN1; SMN2HPGDTDP1
SCHEMBL8630244 0.68 MAPT (0.37) NPC1RAB9ASMN1; SMN2TDP1METAP2
SCHEMBL8796098 0.66 CA1 (0.35)

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 6 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
EP-0645386-A1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1995-03-29 EP disclosed