SCHEMBL22201688

SCHEMBL22201688

CCc1nc2ccc(Nc3nc(-c4ccncc4)nc4ccc(C)cc34)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
LATS1 O95835 2/20 0.50
POLB P06746 3/20 0.47
ABCG2 Q9UNQ0 9/20 0.45
ABCB1 P08183 3/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PDE5A O76074 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
TP53 P04637 1/20 0.43
ABCC1 P33527 1/20 0.43
NTSR1 P30989 1/20 0.42

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
SCHEMBL22201558 0.89 ALDH1A1 (0.59) KDM4EALDH1A1RXFP1POLBABCG2
SCHEMBL22201359 0.89 LATS1 (0.48) KDM4EALDH1A1RXFP1LATS1POLB
SCHEMBL22201465 0.85 HPGD (0.50) KDM4EALDH1A1RXFP1LATS1POLB
SCHEMBL22201687 0.83 ABCG2 (0.54) KDM4ELATS1ABCG2ABCB1HPGD
SCHEMBL22201297 0.82 ABCG2 (0.50) ABCG2
SCHEMBL22201611 0.81 LMNA (0.49) KDM4EALDH1A1RXFP1LATS1POLB
SCHEMBL22201613 0.80 LMNA (0.48) KDM4EALDH1A1RXFP1LATS1POLB
SCHEMBL22201456 0.79 ABCG2 (0.52) KDM4EALDH1A1POLBABCG2ABCB1
SCHEMBL22201357 0.77 KDM4E (0.59) KDM4EALDH1A1RXFP1LATS1POLB
SCHEMBL22201471 0.77 KDM4E (0.66) KDM4EALDH1A1RXFP1POLBABCG2

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