SCHEMBL7265381

SCHEMBL7265381

CC1=C(C(=O)O)C(c2ccccn2)C(S(C)(=O)=O)=C(C)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
HSD17B10 Q99714 4/20 0.55
CASP1 P29466 3/20 0.53
CASP7 P55210 1/20 0.41
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
CACNA1B Q00975 3/20 0.38
ALOX15 P16050 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GLA P06280 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL9806876 0.86 KDM4E (0.71) KDM4EHSD17B10CASP1CASP7ALDH1A1
SCHEMBL7160175 0.78 KDM4E (0.90) KDM4EHSD17B10CASP1CASP7ALDH1A1
SCHEMBL7266460 0.77 KDM4E (0.55) KDM4EHSD17B10CASP1CASP7ALDH1A1
SCHEMBL7272409 0.76 ALDH1A1 (0.43) KDM4EHSD17B10CASP1CASP7ALDH1A1
SCHEMBL7267832 0.76 HSD17B10 (0.54) KDM4EHSD17B10CASP1CASP7ALDH1A1
SCHEMBL7266705 0.76 KDM4E (0.90) KDM4EHSD17B10CASP1CASP7ALDH1A1
SCHEMBL7272456 0.75 KDM4E (0.67) KDM4EHSD17B10CASP1CASP7ALDH1A1
SCHEMBL11681065 0.75 KDM4E (0.70) KDM4EHSD17B10CASP1CASP7ALDH1A1
SCHEMBL7267045 0.74 CACNA1B (0.39) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL11681059 0.72 KDM4E (0.62) KDM4EHSD17B10CASP1CASP7ALDH1A1

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
US-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed