SCHEMBL7704730

SCHEMBL7704730

CCc1ccc(N/N=C2\C(=O)Nc3ccc4[nH]nnc4c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL7704732 1.00 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MAPT
SCHEMBL5873928 0.87 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MAPT
SCHEMBL5873925 0.87 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MAPT
SCHEMBL5244459 0.84 AGTR1 (0.40) SMN1; SMN2ALDH1A1MAPT
SCHEMBL5873918 0.84 AGTR1 (0.40) SMN1; SMN2ALDH1A1MAPT
SCHEMBL5873981 0.82 MOGAT2 (0.33)
SCHEMBL5894115 0.82 MOGAT2 (0.33)
SCHEMBL5894696 0.81 EIF2AK2 (0.47) ALDH1A1MAPT
SCHEMBL5894679 0.81 EIF2AK2 (0.47) ALDH1A1MAPT
SCHEMBL5894025 0.77 KMT2A (0.35) ALDH1A1

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
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US disclosed