SCHEMBL10464305

SCHEMBL10464305

COc1ccc(C=C(Cn2ccnc2)c2ccc3c(c2)CCC(=O)N3)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.52
▸ TBXAS1 P24557 4/20 0.47
▸ PDE3B Q13370 4/20 0.47
▸ PDE3A Q14432 4/20 0.47
▸ CRBN Q96SW2 3/20 0.45
▸ PKM P14618 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ BRD4 O60885 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ BRD2 P25440 1/20 0.39

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
SCHEMBL10464304 1.00 CYP19A1 (0.52) CYP19A1TBXAS1PDE3BPDE3ACRBN
SCHEMBL10464398 0.88 TBXAS1 (0.48) CYP19A1TBXAS1PDE3BPDE3ACRBN
SCHEMBL10464397 0.88 TBXAS1 (0.48) CYP19A1TBXAS1PDE3BPDE3ACRBN
SCHEMBL10461627 0.85 TBXAS1 (0.53) CYP19A1TBXAS1PDE3BPDE3ACRBN
SCHEMBL10461629 0.85 TBXAS1 (0.53) CYP19A1TBXAS1PDE3BPDE3ACRBN
SCHEMBL10462993 0.83 TBXAS1 (0.52) CYP19A1TBXAS1PDE3BPDE3ACRBN
SCHEMBL10462991 0.83 TBXAS1 (0.52) CYP19A1TBXAS1PDE3BPDE3ACRBN
SCHEMBL10463898 0.82 TBXAS1 (0.54) CYP19A1TBXAS1PDE3BPDE3ACRBN
SCHEMBL10463897 0.82 TBXAS1 (0.54) CYP19A1TBXAS1PDE3BPDE3ACRBN
SCHEMBL10464306 0.80 CRBN (0.45) CYP19A1TBXAS1PDE3BPDE3ACRBN

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-4921862-A Carbostyril derivatives as combined thromboxane synthetase and cyclic-amp phosphodiesterase inhibitors SYNTEX (U.S.A.) INC. (US) 1990-05-01 — — US disclosed
US-4792561-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1988-12-20 — — US disclosed
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