SCHEMBL9434846

SCHEMBL9434846

CC1=C(C(=O)O)C(c2ccccc2Cl)C(c2ccccn2)=C(C)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSD17B10 Q99714 7/20 0.43
KDM4E B2RXH2 6/20 0.43
CASP1 P29466 4/20 0.42
CACNA1B Q00975 1/20 0.41
MAPT P10636 4/20 0.38
TSHR P16473 4/20 0.37
CASP7 P55210 3/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
GLA P06280 1/20 0.36
CYP2C9 P11712 3/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL9434006 0.92 KDM4E (0.46) ALDH1A1SMN1; SMN2L3MBTL1HSD17B10KDM4E
SCHEMBL9434164 0.88 KDM4E (0.43) ALDH1A1SMN1; SMN2L3MBTL1HSD17B10KDM4E
SCHEMBL9433540 0.88 KDM4E (0.45) ALDH1A1SMN1; SMN2L3MBTL1HSD17B10KDM4E
SCHEMBL9434428 0.87 KDM4E (0.61) ALDH1A1SMN1; SMN2L3MBTL1HSD17B10KDM4E
SCHEMBL9433568 0.87 KDM4E (0.44) ALDH1A1SMN1; SMN2HSD17B10KDM4ECASP1
SCHEMBL9433813 0.86 KDM4E (0.43) ALDH1A1SMN1; SMN2L3MBTL1HSD17B10KDM4E
SCHEMBL9434790 0.86 KDM4E (0.43) ALDH1A1SMN1; SMN2HSD17B10KDM4ECASP1
SCHEMBL9433749 0.84 KDM4E (0.47) ALDH1A1SMN1; SMN2HSD17B10KDM4ECASP1
SCHEMBL9433578 0.84 MAPT (0.44) ALDH1A1HSD17B10KDM4ECASP1CACNA1B
SCHEMBL9434410 0.83 CACNA1B (0.45) ALDH1A1SMN1; SMN2HSD17B10KDM4ECASP1

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