SCHEMBL11237282

SCHEMBL11237282

O=C1c2cc(Br)c(O)cc2OCC1n1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.37
ALOX12 P18054 3/20 0.35
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALOX15 P16050 2/20 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
Hydrochloric Acid SCHEMBL11221160 0.99 CYP19A1 (0.36) CYP19A1ALOX12HTR1ACYP2D6SLC6A4
SCHEMBL11228903 0.85 ALOX12 (0.35) CYP19A1ALOX12ALOX15
SCHEMBL11231221 0.82 CYP19A1 (0.48) CYP19A1ALOX12
SCHEMBL11229062 0.82 CYP19A1 (0.38) CYP19A1
SCHEMBL11230868 0.82 CYP19A1 (0.33) CYP19A1ALOX12ALOX15
SCHEMBL11239412 0.82 HSP90AA1 (0.38) CYP19A1ALOX12ALOX15
SCHEMBL11231299 0.81 CYP19A1 (0.45) CYP19A1ALOX12
SCHEMBL11241082 0.81 CYP19A1 (0.48) CYP19A1
Bromide SCHEMBL11229202 0.81 CYP19A1 (0.47) CYP19A1ALOX12
Hydrochloric Acid SCHEMBL11229170 0.81 ALOX12 (0.33) CYP19A1ALOX12ALOX15

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