SCHEMBL22201338

SCHEMBL22201338

COc1cc(F)cc(Nc2nc(-c3ccncc3)nc3ccccc23)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.76
ABCB1 P08183 4/20 0.76
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
ABCC1 P33527 1/20 0.73
HPGD P15428 4/20 0.68
LMNA P02545 4/20 0.68
ALDH1A1 P00352 4/20 0.68
POLB P06746 2/20 0.68
GSK3A P49840 1/20 0.68
GSK3B P49841 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.66
MAPT P10636 3/20 0.66
KDM4E B2RXH2 3/20 0.66
TP53 P04637 2/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2D6 P10635 2/20 0.66
MAPK1 P28482 2/20 0.66
CYP2C19 P33261 2/20 0.66

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
SCHEMBL22201337 0.89 ABCG2 (0.76) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201581 0.88 HPGD (0.81) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201361 0.86 ABCG2 (1.00) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201344 0.85 ALDH1A1 (0.72) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL1083764 0.85 ABCG2 (1.00) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201578 0.83 HPGD (0.86) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL1063510 0.82 ABCG2 (0.91) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201670 0.82 HPGD (0.68) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL1083761 0.81 HPGD (1.00) ABCG2ABCB1HPGDLMNAALDH1A1
SCHEMBL22201336 0.81 ABCG2 (0.78) ABCG2ABCB1HPGDLMNAALDH1A1

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