SCHEMBL9401521

SCHEMBL9401521

COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccc(Cc3ncc[nH]3)cc2)C1c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
CACNA1B Q00975 14/20 0.45
ADORA3 P0DMS8 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL9401771 0.89 CACNA1B (0.48) MEN1KMT2ACACNA1BADORA3HTT
SCHEMBL9401870 0.89 MAPT (0.49) MEN1ALDH1A1KMT2AMAPTCACNA1B
SCHEMBL9401785 0.88 CACNA1B (0.44) MEN1KMT2ACACNA1BADORA3HTT
SCHEMBL9401715 0.88 CACNA1B (0.61) MEN1KMT2ACACNA1BADORA3HTT
SCHEMBL9401528 0.86 CACNA1B (0.60) MEN1KMT2ACACNA1BADORA3HTT
SCHEMBL9401649 0.85 CACNA1B (0.46) MEN1KMT2ACACNA1BADORA3HTT
SCHEMBL9401620 0.85 CACNA1B (0.46) MEN1ALDH1A1KMT2AMAPTCACNA1B
SCHEMBL7293440 0.85 CACNA1B (0.64) MEN1KMT2ACACNA1BADORA3HTT
SCHEMBL9401598 0.85 CACNA1B (0.47) MEN1ALDH1A1KMT2AMAPTCACNA1B
SCHEMBL9401615 0.85 CACNA1B (0.61) MEN1KMT2ACACNA1BADORA3HTT

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-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
EP-0403957-A2 Optical active 1,4-dihydropyridine derivates FUJIREBIO INC. (JP) 1990-12-27 EP disclosed