SCHEMBL9401801

SCHEMBL9401801

COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/C=Cc2ccc(Cn3ccnc3)cc2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ADORA3 P0DMS8 3/20 0.56
CACNA1C Q13936 3/20 0.56
TBXA2R P21731 2/20 0.56
MLNR O43193 1/20 0.56
NR1I2 O75469 1/20 0.56
CACNA1H O95180 1/20 0.56
NR3C1 P04150 1/20 0.56
HTT P42858 1/20 0.56
PDE4D Q08499 1/20 0.56
SLC29A1 Q99808 1/20 0.56
MAPT P10636 4/20 0.56
CYP1A2 P05177 4/20 0.56
CYP3A4 P08684 4/20 0.56
CYP2C9 P11712 4/20 0.56
CYP2C19 P33261 4/20 0.56
HIF1A Q16665 3/20 0.56
LMNA P02545 3/20 0.56

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
SCHEMBL7291536 0.95 CACNA1B (0.63) CACNA1BMEN1KMT2AADORA3CACNA1C
SCHEMBL7291521 0.95 CACNA1B (0.63) CACNA1BMEN1KMT2AADORA3CACNA1C
SCHEMBL31741379 0.95 CACNA1B (0.63) CACNA1BMEN1KMT2AADORA3CACNA1C
SCHEMBL7299837 0.95 CACNA1B (0.63) CACNA1BMEN1KMT2AADORA3CACNA1C
SCHEMBL7291859 0.92 CACNA1B (0.66) CACNA1BMEN1KMT2AADORA3CACNA1C
SCHEMBL9401719 0.92 CACNA1B (0.66) CACNA1BMEN1KMT2AADORA3CACNA1C
SCHEMBL9401530 0.92 CACNA1B (0.60) CACNA1BMEN1KMT2AADORA3CACNA1C
SCHEMBL9401527 0.92 CACNA1B (0.60) CACNA1BMEN1KMT2AADORA3CACNA1C
SCHEMBL9401942 0.90 CACNA1B (0.70) CACNA1BMEN1KMT2AADORA3CACNA1C
SCHEMBL9401944 0.90 CACNA1B (0.70) CACNA1BMEN1KMT2AADORA3CACNA1C

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