SCHEMBL9434798

SCHEMBL9434798

COC(=O)C1=C(C)NC(C)=C(c2cccnc2)C1c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
RCE1 Q9Y256 1/20 0.47
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP3A4 P08684 4/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
HIF1A Q16665 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ADORA3 P0DMS8 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CACNA1C Q13936 2/20 0.46
GMNN O75496 2/20 0.46
ABCB11 O95342 2/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL9433588 0.89 MAPT (0.42) KMT2AMEN1RCE1MAPTNPSR1
SCHEMBL10432453 0.87 KDM4E (0.49) KMT2AMEN1MAPTNPSR1KDM4E
SCHEMBL9433574 0.85 KDM4E (0.47) KMT2AMEN1MAPTNPSR1KDM4E
SCHEMBL9434605 0.85 NR1I2 (0.52) KMT2AMAPTNPSR1KDM4EHSD17B10
SCHEMBL9434070 0.85 KDM4E (0.47) KMT2AMEN1MAPTNPSR1KDM4E
SCHEMBL9434419 0.85 KDM4E (0.49) KMT2AMEN1MAPTNPSR1KDM4E
SCHEMBL9434515 0.84 PDE1C (0.69) KMT2AMAPTNPSR1KDM4EHSD17B10
SCHEMBL9433913 0.84 CYP2C9 (0.61) KMT2AMEN1MAPTNPSR1KDM4E
SCHEMBL9433816 0.83 CACNA1C (0.46) KMT2AMAPTNPSR1KDM4EHSD17B10
SCHEMBL3059360 0.82 KDM4E (0.64) KMT2AMEN1RCE1MAPTNPSR1

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-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed