SCHEMBL9401768

SCHEMBL9401768

COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccc(Cn3ccnc3)cc2)C1c1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.47
CYP1A2 P05177 2/20 0.44
TBXAS1 P24557 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9401706 0.91 CACNA1B (0.59) CACNA1BTBXAS1MEN1KMT2A
SCHEMBL9401702 0.91 CACNA1B (0.59) CACNA1BTBXAS1MEN1KMT2A
SCHEMBL9401593 0.90 CACNA1B (0.47) CACNA1BCYP1A2TBXAS1USP2LMNA
SCHEMBL9401900 0.90 CACNA1B (0.48) CACNA1BCYP1A2TBXAS1USP2LMNA
SCHEMBL9401877 0.90 CACNA1B (0.46) CACNA1BCYP1A2TBXAS1USP2LMNA
SCHEMBL9401761 0.89 CACNA1B (0.46) CACNA1BCYP1A2TBXAS1USP2LMNA
SCHEMBL9401612 0.89 CACNA1B (0.46) CACNA1BCYP1A2TBXAS1USP2LMNA
SCHEMBL9401514 0.89 MEN1 (0.51) CACNA1BCYP1A2TBXAS1USP2LMNA
SCHEMBL9401723 0.89 MEN1 (0.51) CACNA1BCYP1A2TBXAS1USP2LMNA
SCHEMBL7293432 0.89 CACNA1B (0.63) CACNA1BTBXAS1MEN1KMT2A

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