SCHEMBL22201463

SCHEMBL22201463

COc1ccc2nc(-c3ccncc3)nc(Nc3ccc4nc(C(C)C)sc4c3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 14/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ABCC1 P33527 2/20 0.55
ABCB1 P08183 6/20 0.55
LATS1 O95835 1/20 0.53
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CYP2C19 P33261 1/20 0.48
CASP7 P55210 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE5A O76074 1/20 0.45

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
SCHEMBL22201454 0.87 HPGD (0.51) ABCG2MEN1KMT2AABCC1ABCB1
SCHEMBL22201430 0.86 LATS1 (0.48) ABCG2MEN1KMT2AABCC1ABCB1
SCHEMBL22201557 0.86 ALDH1A1 (0.59) ABCG2MEN1KMT2AABCC1ABCB1
SCHEMBL22201455 0.83 HPGD (0.51) ABCG2MEN1KMT2AABCC1ABCB1
SCHEMBL22201687 0.80 ABCG2 (0.54) ABCG2MEN1KMT2AABCC1ABCB1
SCHEMBL22201280 0.80 ABCG2 (0.50) ABCG2
SCHEMBL22201453 0.79 LMNA (0.49) ABCG2MEN1KMT2AABCC1ABCB1
SCHEMBL14726163 0.77 ABCG2 (0.66) ABCG2MEN1KMT2AABCB1KDM4E
SCHEMBL14726162 0.77 ABCG2 (0.66) ABCG2MEN1KMT2AABCB1KDM4E
SCHEMBL22201556 0.77 HPGD (0.62) ABCG2MEN1KMT2AABCC1ABCB1

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