SCHEMBL9401721

SCHEMBL9401721

COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccc(Cc3ncc[nH]3)cc2)C1c1cccc(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
KMT2A Q03164 2/20 0.57
HIF1A Q16665 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ABCB11 O95342 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
TP53 P04637 1/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
NR1I2 O75469 1/20 0.57
GMNN O75496 1/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL9401581 0.92 CYP2C9 (0.47) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9401905 0.91 CACNA1B (0.48) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9401810 0.90 CACNA1B (0.55) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9401759 0.89 CACNA1B (0.44) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL10866440 0.89 CYP2C9 (0.54) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9401598 0.88 CACNA1B (0.47) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9401699 0.88 CACNA1B (0.46) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9401549 0.88 CACNA1B (0.47) MEN1KMT2ANR1I2NR3C1ADORA3
SCHEMBL9401766 0.87 CACNA1B (0.46) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9401885 0.87 CACNA1B (0.46) CYP2C9KDM4EMEN1CYP1A2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed