SCHEMBL11228488

SCHEMBL11228488

Cc1cc(Br)c2c(c1)C(=O)C(n1ccnc1)CO2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TERT O14746 1/20 0.32
BRD4 O60885 1/20 0.32
CYP19A1 P11511 1/20 0.30

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 SCHEMBL11236690 0.99 MEN1 (0.33) MEN1KMT2ATERTBRD4
SCHEMBL11226736 0.88 TERT (0.33) TERTCYP19A1
Hydrochloric Acid SCHEMBL11237126 0.87 TERT (0.33) TERTCYP19A1
SCHEMBL11221326 0.86
SCHEMBL11228030 0.86 CYP19A1 (0.34) CYP19A1
SCHEMBL11229209 0.85
SCHEMBL11236686 0.85 CYP19A1 (0.30) CYP19A1
Hydrochloric Acid SCHEMBL11230929 0.85 CYP19A1 (0.34) CYP19A1
SCHEMBL11227382 0.83 TBXAS1 (0.32) CYP19A1
SCHEMBL11231992 0.82

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