SCHEMBL9433749

SCHEMBL9433749

COc1ccccc1C1C(C(=O)O)=C(C)NC(C)=C1c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CASP1 P29466 1/20 0.43
POLB P06746 1/20 0.42
NR1I2 O75469 1/20 0.41
PKM P14618 1/20 0.41
APLNR P35414 1/20 0.40
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
DHFR P00374 1/20 0.39
LMNA P02545 1/20 0.39
FABP5 Q01469 1/20 0.39

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
SCHEMBL9434613 0.90 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL9433779 0.87 POLB (0.47) KDM4EHSD17B10ALDH1A1GAASMN1; SMN2
SCHEMBL9433540 0.86 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL9433568 0.85 KDM4E (0.44) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL9434846 0.84 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL9434790 0.84 KDM4E (0.43) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL9433813 0.84 KDM4E (0.43) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL9434205 0.83 CACNA1B (0.52)
SCHEMBL9434185 0.83 CACNA1B (0.52)
SCHEMBL9806975 0.83 MAPT (0.56) KDM4EHSD17B10ALDH1A1HPGDMAPT

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