SCHEMBL22201295

SCHEMBL22201295

Cc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ABCG2 Q9UNQ0 18/20 0.53
ALDH1A1 P00352 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL22201297 0.87 ABCG2 (0.50) ABCG2
SCHEMBL22201280 0.87 ABCG2 (0.50) ABCG2
SCHEMBL22201471 0.86 KDM4E (0.66) KDM4EMEN1KMT2AABCG2ALDH1A1
SCHEMBL22201258 0.84 ABCG2 (0.48) ABCG2
SCHEMBL22201694 0.84 KDM4E (0.56) KDM4EMEN1KMT2AABCG2ALDH1A1
SCHEMBL22201284 0.83 ABCG2 (0.54) ABCG2
SCHEMBL22201638 0.82 KMT2A (0.57) KDM4EMEN1KMT2AABCG2ALDH1A1
SCHEMBL22201357 0.82 KDM4E (0.59) KDM4EMEN1KMT2AABCG2ALDH1A1
SCHEMBL22201693 0.82 KDM4E (0.54) KDM4EMEN1KMT2AABCG2ALDH1A1
SCHEMBL22201422 0.82 ABCG2 (0.60) ABCG2

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
WO-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed