SCHEMBL9532631

SCHEMBL9532631

Cc1cc(C(=O)NC(C(N)=S)c2ccco2)sn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
ALOX5 P09917 1/20 0.35
CYP2C19 P33261 2/20 0.34
USP2 O75604 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
MME P08473 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK10 P53779 2/20 0.33
CASP1 P29466 1/20 0.33
CACNA1B Q00975 1/20 0.32

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
SCHEMBL9530946 0.79 MME (0.36) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL10923973 0.73 S1PR3 (0.40) KMT2A
SCHEMBL9793809 0.71 GRN (0.44) ALDH1A1RAB9AMAPTALOX5HPGD
SCHEMBL9260259 0.64
SCHEMBL10921272 0.62 S1PR3 (0.41) NPC1RAB9AKMT2AMEN1ALOX5
SCHEMBL10525567 0.60 ALOX5 (0.49) ALDH1A1KMT2AMAPTMEN1ALOX5
SCHEMBL1527752 0.59
SCHEMBL27286138 0.59
SCHEMBL11666094 0.59 KMT2A (0.49) ALDH1A1RAB9AKMT2AMAPTMEN1
SCHEMBL22367374 0.59 CSNK2A2 (0.42) ALDH1A1NPC1RAB9AKMT2AMEN1

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
EP-0313091-B1 AMIDE DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF, AND AGRICULTURAL-HORTICULTURAL FUNGICIDE CONTAINING THEM MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-09-01 EP disclosed
US-5104886-A Syntergistic mixtures of amide substituted thiazoles and other fungicides MITSUI TOATSU CHEMICALS, INC. (JP) 1992-04-14 US disclosed
US-4980363-A CONTROLLING PLANT DISEASES MITSUI TOATSU CHEMICALS, INC. (JP) 1990-12-25 US disclosed
EP-0313091-A2 Amide derivatives, processes for production thereof, and agricultural-horticultural fungicide containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-04-26 EP disclosed