SCHEMBL29786258

SCHEMBL29786258

Brc1ccc(-c2c[nH]cn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
FDFT1 P37268 1/20 0.32
DGAT1 O75907 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
SCHEMBL23124011 1.00 CYP19A1 (0.40) CYP19A1CHRNB2CHRNA4FDFT1DGAT1
SCHEMBL856079 0.79 METAP2 (0.44)
SCHEMBL4868679 0.78 PIK3CD (0.46) CHRNB2CHRNA4
SCHEMBL4862787 0.78 HPGDS (0.44) CHRNB2CHRNA4
SCHEMBL4865443 0.78 MAPT (0.45) CHRNB2CHRNA4
SCHEMBL20054187 0.78 AKT1 (0.30)
SCHEMBL4866869 0.78 MKNK1 (0.47) CYP19A1
Hydrochloric Acid SCHEMBL15367017 0.77 HPGDS (0.43) CHRNB2CHRNA4
SCHEMBL23559714 0.74 P4HTM (0.47)
SCHEMBL23123510 0.74 KDM5B (0.40) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787135-A Substituted imidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed