SCHEMBL9401580

SCHEMBL9401580

[CH2]/C=C/c1cccc(Cn2ccnc2)c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.68
CYP11B1 P15538 10/20 0.62
CYP11B2 P19099 9/20 0.62
ADRA2C P18825 1/20 0.58
CYP19A1 P11511 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
QPCT Q16769 1/20 0.55
CYP4Z1 Q86W10 1/20 0.55
QPCTL Q9NXS2 1/20 0.55
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL7291119 1.00 TBXAS1 (0.68) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL11047192 0.85 TBXAS1 (0.64) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL8404966 0.83 TBXAS1 (0.69) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL7385323 0.83 TBXAS1 (0.69) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL7299629 0.83 TBXAS1 (0.69) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL7299635 0.83 TBXAS1 (0.69) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL4066962 0.82 TBXAS1 (0.67) TBXAS1CYP11B1CYP11B2ADRA2CCYP19A1
SCHEMBL9401817 0.82 TBXAS1 (0.65) TBXAS1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL7301039 0.82 TBXAS1 (0.65) TBXAS1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL9401491 0.82 TBXAS1 (0.65) TBXAS1CYP11B1CYP11B2CYP19A1CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US claimed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP claimed
US-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed