SCHEMBL9401528

SCHEMBL9401528

COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccc(Cc3ncc[nH]3)cc2)C1c1ccsc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 16/20 0.60
PKM P14618 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
CACNA1H O95180 1/20 0.39
NR3C1 P04150 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TBXA2R P21731 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4D Q08499 1/20 0.39
CACNA1C Q13936 1/20 0.39
SLC29A1 Q99808 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
SCHEMBL9401715 0.88 CACNA1B (0.61) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL9401771 0.86 CACNA1B (0.48) CACNA1BKDM4EHSD17B10MEN1MLNR
SCHEMBL9401870 0.86 MAPT (0.49) CACNA1BKDM4EMEN1ADORA3KMT2A
SCHEMBL9401521 0.86 MEN1 (0.52) CACNA1BMEN1ADORA3HTTKMT2A
SCHEMBL9401785 0.85 CACNA1B (0.44) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL7293440 0.85 CACNA1B (0.64) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL9401615 0.85 CACNA1B (0.61) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL9401726 0.85 CACNA1B (0.60) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL9401541 0.85 CACNA1B (0.55) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL9401649 0.84 CACNA1B (0.46) CACNA1BMEN1MLNRNR1I2CACNA1H

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