SCHEMBL4554894

SCHEMBL4554894

NC(=O)C(Cn1ccnn1)n1ccnn1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.45
CYP19A1 P11511 17/20 0.42
CYP1A1 P04798 2/20 0.42
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL16964393 0.86 FOLH1 (0.53) FOLH1CYP19A1CYP1A1
SCHEMBL5804564 0.85 FOLH1 (0.44) FOLH1CYP19A1CYP1A1
SCHEMBL6616572 0.82 FOLH1 (0.42) FOLH1CYP19A1CYP1A1AURKARPS6KB1
SCHEMBL2754373 0.79 LMNA (0.38) FOLH1CYP19A1
SCHEMBL27349224 0.79 FOLH1 (0.47) FOLH1CYP19A1CYP1A1AURKARPS6KB1
SCHEMBL4485559 0.79 CYP19A1 (0.47) FOLH1CYP19A1CYP1A1AURKARPS6KB1
SCHEMBL612982 0.71 FOLH1 (0.55) FOLH1CYP19A1CYP1A1
SCHEMBL6395050 0.71 FOLH1 (0.55) FOLH1CYP19A1CYP1A1
SCHEMBL16965550 0.71 CYP19A1 (0.41) FOLH1CYP19A1CYP1A1
SCHEMBL29201284 0.70 CYP19A1 (0.48) FOLH1CYP19A1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP claimed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO claimed
EP-2900665-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP disclosed
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP disclosed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO disclosed