SCHEMBL22201461

SCHEMBL22201461

FC(F)(F)c1nc2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2o1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 13/20 0.66
HPGD P15428 3/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 1/20 0.62
ABCB1 P08183 4/20 0.61
ALDH1A1 P00352 3/20 0.60
POLB P06746 2/20 0.60
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
KDM4E B2RXH2 3/20 0.59
PDE5A O76074 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RXFP1 Q9HBX9 1/20 0.56
TGFBR1 P36897 1/20 0.56
MAPK14 Q16539 1/20 0.56
MEN1 O00255 1/20 0.53
ABCC1 P33527 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL22201406 0.87 ABCG2 (0.55) ABCG2HPGDLMNAMAPTABCB1
SCHEMBL22201604 0.84 ALDH1A1 (0.66) ABCG2HPGDLMNAMAPTABCB1
SCHEMBL22201615 0.82 ALDH1A1 (0.59) ABCG2HPGDLMNAMAPTABCB1
SCHEMBL22201457 0.82 ALDH1A1 (0.59) ABCG2HPGDLMNAMAPTABCB1
SCHEMBL22201460 0.79 PRKD1 (0.68) ABCG2HPGDLMNAMAPTABCB1
SCHEMBL22201458 0.79 ALDH1A1 (0.55) ABCG2HPGDLMNAMAPTABCB1
SCHEMBL1083755 0.78 ABCG2 (1.00) ABCG2HPGDLMNAMAPTABCB1
SCHEMBL22201578 0.77 HPGD (0.86) ABCG2HPGDLMNAMAPTABCB1
SCHEMBL22201568 0.77 HPGD (0.71) ABCG2HPGDLMNAMAPTABCB1
SCHEMBL16937290 0.77 HPGD (1.00) ABCG2HPGDLMNAMAPTABCB1

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