SCHEMBL9600693

SCHEMBL9600693

COC(=O)c1c(C)nn(-c2ccccn2)c1S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.51
ALDH1A1 P00352 9/20 0.46
MAPT P10636 6/20 0.46
KDM4E B2RXH2 5/20 0.46
THRB P10828 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CASP1 P29466 1/20 0.44
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL10562470 0.87 ALDH1A1 (0.56) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL9599999 0.85 HPGD (0.67) HPGDALDH1A1MAPTKDM4ETHRB
SCHEMBL9601157 0.85 HPGD (0.50) HPGDALDH1A1MAPTKDM4ETHRB
SCHEMBL9602910 0.81 HPGD (0.49) HPGDALDH1A1MAPTKDM4ETHRB
SCHEMBL10514701 0.81 HPGD (0.45) HPGDALDH1A1MAPTPOLBRAB9A
SCHEMBL9600303 0.76 NPC1 (0.54) HPGDALDH1A1MAPTKDM4ETHRB
SCHEMBL123446 0.75 PDE4D (0.67) HPGDALDH1A1MAPTKDM4EALOX15
SCHEMBL27780413 0.74 ALDH1A1 (0.51) HPGDALDH1A1MAPTKDM4ETHRB
SCHEMBL10514628 0.74 ALDH1A1 (0.48) HPGDALDH1A1MAPTKDM4ETHRB
SCHEMBL10556383 0.73 HPGD (0.63) HPGDALDH1A1MAPTKDM4EHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318602-B1 PYRAZOLESULFONAMIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND HERBICIDE CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-04-28 EP disclosed
US-4881965-A CONTROLLING WILD OATS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-21 US disclosed