SCHEMBL9530946

SCHEMBL9530946

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
ALOX5 P09917 1/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34
PHGDH O43175 1/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PDE2A O00408 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 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
SCHEMBL9529626 0.81 PDE2A (0.41) MMEALDH1A1SMN1; SMN2PDE2A
SCHEMBL9532631 0.79 ALDH1A1 (0.36) MMEALDH1A1NPC1RAB9ATSHR
SCHEMBL9533252 0.76 HTT (0.35) ALDH1A1NPC1RAB9ATSHRHTT
SCHEMBL10653083 0.75 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1SMN1; SMN2USP2
SCHEMBL8799757 0.74 LMNA (0.51) ALDH1A1NPC1RAB9ATSHRHTT
SCHEMBL9644142 0.74 ALDH1A1 (0.53) ALDH1A1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL10921927 0.74 CYP1A2 (0.48) ALDH1A1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL9345773 0.73 KMT2A (0.42) ALDH1A1NPC1RAB9AHTTALOX5
SCHEMBL9528349 0.73 ALDH1A1 (0.51) ALDH1A1RAB9ATSHRL3MBTL1SMN1; SMN2
SCHEMBL10922453 0.72 SMN1; SMN2 (0.46) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A

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