SCHEMBL9433754

SCHEMBL9433754

COc1ccccc1C1C(C(=O)O)=C(C)NC(C)=C1c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
CACNA1B Q00975 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
P2RX3 P56373 1/20 0.41
POLB P06746 2/20 0.41
NR1I2 O75469 1/20 0.40
F2 P00734 1/20 0.40
F12 P00748 1/20 0.40
APLNR P35414 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IRAK4 Q9NWZ3 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
SCHEMBL9434605 0.90 NR1I2 (0.52) GAAMKNK1MKNK2CACNA1BKDM4E
SCHEMBL9433784 0.87 CYP11B1 (0.48) GAACACNA1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL9433545 0.86 CACNA1B (0.44) GAAMKNK1MKNK2CACNA1BKDM4E
SCHEMBL9433577 0.85 PKM (0.47) CACNA1BKDM4EPKM
SCHEMBL9433824 0.84 CACNA1B (0.43) GAAMKNK1MKNK2CACNA1BKDM4E
SCHEMBL9434851 0.84 KDM4E (0.44) MKNK1MKNK2CACNA1BKDM4EALDH1A1
SCHEMBL9434792 0.84 CACNA1B (0.43) GAAMKNK1MKNK2CACNA1BMAPT
SCHEMBL9434190 0.83 CACNA1B (0.59) CACNA1BALDH1A1
SCHEMBL9433588 0.83 MAPT (0.42) GAACACNA1BKDM4EMAPTALDH1A1
SCHEMBL9434815 0.82 CACNA1C (0.44) GAACACNA1BKDM4EMAPTALDH1A1

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