SCHEMBL9434688

SCHEMBL9434688

COC(=O)C1=C(C)NC(C)=C(c2cccnc2)C1c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
HPGD P15428 7/20 0.47
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 6/20 0.47
GAA P10253 5/20 0.47
CYP2C9 P11712 3/20 0.47
CYP3A4 P08684 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
HIF1A Q16665 2/20 0.47
MAPT P10636 2/20 0.47
ABCB11 O95342 2/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47

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
SCHEMBL9433913 0.89 CYP2C9 (0.61) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL9434419 0.88 KDM4E (0.49) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL9434169 0.88 CACNA1B (0.41) KDM4EGAALMNAHTTSMN1; SMN2
SCHEMBL9434716 0.85 CACNA1F (0.53) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL9433624 0.84 CACNA1B (0.48) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL9434358 0.84 GAA (0.46) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL9434335 0.82 TSHR (0.48) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL10432258 0.82 GAA (0.48) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL10432453 0.81 KDM4E (0.49) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL9434534 0.80 KDM4E (0.51) KDM4EHPGDALDH1A1HSD17B10GAA

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