SCHEMBL9433907

SCHEMBL9433907

CC1=C(C(=O)O)C(c2cccs2)C(c2ccccn2)=C(C)N1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
HSD17B10 Q99714 7/20 0.45
CASP1 P29466 1/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NR3C1 P04150 1/20 0.40
FFAR3 O14843 1/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
ADORA2B P29275 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
AGTR1 P30556 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL9433723 0.88 KDM4E (0.63) KDM4EHSD17B10CASP1ALDH1A1MAPT
SCHEMBL9434054 0.84 FFAR3 (0.41) KDM4EHSD17B10CASP1ALDH1A1KMT2A
SCHEMBL9433540 0.82 KDM4E (0.45) KDM4EHSD17B10CASP1ALDH1A1KMT2A
SCHEMBL9434000 0.81 CACNA1B (0.51) KDM4EHSD17B10CASP1ALDH1A1KMT2A
SCHEMBL9434752 0.80 KDM4E (0.45) KDM4EHSD17B10CASP1ALDH1A1MAPT
SCHEMBL9433568 0.79 KDM4E (0.44) KDM4EHSD17B10CASP1ALDH1A1KMT2A
SCHEMBL10432703 0.79 KDM4E (0.44) KDM4EHSD17B10CASP1ALDH1A1MAPT
SCHEMBL9434410 0.78 CACNA1B (0.45) KDM4EHSD17B10CASP1ALDH1A1MAPT
SCHEMBL9433915 0.78 KDM4E (0.46) KDM4EHSD17B10CASP1ALDH1A1MAPT
SCHEMBL9433813 0.78 KDM4E (0.43) KDM4EHSD17B10CASP1ALDH1A1KMT2A

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-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed