SCHEMBL9433779

SCHEMBL9433779

CC1=C(C(=O)O)C(c2ccccc2OCc2ccccc2)C(c2ccccn2)=C(C)N1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
TP53 P04637 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
LTA4H P09960 1/20 0.39
MAPK14 Q16539 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 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
SCHEMBL9433749 0.87 KDM4E (0.47) POLBSMN1; SMN2KDM4EHSD17B10CASP1
SCHEMBL10961726 0.85 POLB (0.54) POLBSMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL9434438 0.83 USP2 (0.46) KDM4EHSD17B10CASP1TNKS2SIRT1
SCHEMBL9434185 0.83 CACNA1B (0.52)
SCHEMBL9434205 0.83 CACNA1B (0.52)
SCHEMBL9433784 0.83 CYP11B1 (0.48) POLBSMN1; SMN2KDM4EHSD17B10KMT2A
SCHEMBL9433540 0.82 KDM4E (0.45) SMN1; SMN2KDM4EHSD17B10CASP1KMT2A
SCHEMBL9433568 0.81 KDM4E (0.44) SMN1; SMN2KDM4EHSD17B10CASP1KMT2A
SCHEMBL9433813 0.80 KDM4E (0.43) SMN1; SMN2KDM4EHSD17B10CASP1KMT2A
SCHEMBL9434790 0.80 KDM4E (0.43) SMN1; SMN2KDM4EHSD17B10CASP1KMT2A

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