SCHEMBL11226045

SCHEMBL11226045

O=C1c2ccc(Cl)cc2OCC1n1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.40
MAOB P27338 3/20 0.40
IDO1 P14902 3/20 0.35
LMNA P02545 1/20 0.34
F10 P00742 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHEK1 O14757 1/20 0.33
S100A4 P26447 1/20 0.33
CYP17A1 P05093 1/20 0.32

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
SCHEMBL10894568 0.92 CYP19A1 (0.49) CYP19A1MAOBIDO1LMNAF10
SCHEMBL11231221 0.85 CYP19A1 (0.48) CYP19A1MAOBCYP17A1
SCHEMBL11229062 0.85 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2CYP17A1
Bromide SCHEMBL11229202 0.84 CYP19A1 (0.47) CYP19A1MAOBCYP17A1
SCHEMBL9529868 0.83 CYP19A1 (0.48) CYP19A1MAOB
SCHEMBL11232777 0.82 MAOB (0.44) CYP19A1MAOBLMNACYP17A1
SCHEMBL11230668 0.81 CYP19A1 (0.51) CYP19A1MAOBLMNACYP11B1CYP11B2
SCHEMBL11233256 0.81 CYP17A1 (0.40) CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL11228994 0.81 CYP19A1 (0.41) CYP19A1LMNA
SCHEMBL11228903 0.80 ALOX12 (0.35) CYP19A1MAOB

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-4342775-A FOR USE AS ANTICOAGULANT AND REDUCING SERUM SHOLESTEROL OR SERUM TRIGLYCERIDES FARMITALIA CARLO ERBA S.P.A. (IT) 1982-08-03 US claimed
US-4342775-A FOR USE AS ANTICOAGULANT AND REDUCING SERUM SHOLESTEROL OR SERUM TRIGLYCERIDES FARMITALIA CARLO ERBA S.P.A. (IT) 1982-08-03 US disclosed