SCHEMBL9401723

SCHEMBL9401723

COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccc(Cn3ccnc3)cc2)C1c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
CACNA1B Q00975 11/20 0.46
ADORA3 P0DMS8 1/20 0.42
CYP1A2 P05177 2/20 0.41
TBXAS1 P24557 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 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
SCHEMBL9401514 1.00 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTCACNA1B
SCHEMBL9401863 0.89 CYP1A2 (0.48) MEN1KMT2AMAPTCACNA1BCYP1A2
SCHEMBL9401858 0.89 CYP1A2 (0.48) MEN1KMT2AMAPTCACNA1BCYP1A2
SCHEMBL9401768 0.89 CACNA1B (0.47) MEN1KMT2ACACNA1BCYP1A2TBXAS1
SCHEMBL9401779 0.88 CACNA1B (0.46) MEN1KMT2ACACNA1BCYP1A2TBXAS1
SCHEMBL9401706 0.88 CACNA1B (0.59) MEN1KMT2ACACNA1BADORA3TBXAS1
SCHEMBL9401702 0.88 CACNA1B (0.59) MEN1KMT2ACACNA1BADORA3TBXAS1
SCHEMBL9401508 0.87 CACNA1B (0.59) MEN1KMT2ACACNA1BCYP1A2TBXAS1
SCHEMBL9401515 0.87 CACNA1B (0.59) MEN1KMT2ACACNA1BCYP1A2TBXAS1
SCHEMBL7293425 0.86 CACNA1B (0.63) MEN1KMT2ACACNA1BADORA3TBXAS1

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