SCHEMBL22201336

SCHEMBL22201336

Fc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)cc(C(F)(F)F)c1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.78
HPGD P15428 3/20 0.69
ALDH1A1 P00352 3/20 0.69
LMNA P02545 3/20 0.69
POLB P06746 2/20 0.69
GSK3A P49840 1/20 0.69
GSK3B P49841 1/20 0.69
KDM4E B2RXH2 3/20 0.65
PDE5A O76074 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
MAPT P10636 1/20 0.65
TGFBR1 P36897 1/20 0.62
MAPK14 Q16539 1/20 0.62
ABCB1 P08183 2/20 0.60
RXFP1 Q9HBX9 1/20 0.59
KDM1A O60341 1/20 0.57

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
SCHEMBL22201581 0.89 HPGD (0.81) ABCG2HPGDALDH1A1LMNAPOLB
SCHEMBL22201440 0.89 ABCG2 (0.74) ABCG2HPGDALDH1A1LMNAPOLB
SCHEMBL1083755 0.87 ABCG2 (1.00) ABCG2HPGDALDH1A1LMNAPOLB
SCHEMBL22201344 0.84 ALDH1A1 (0.72) ABCG2HPGDALDH1A1LMNAPOLB
SCHEMBL1083761 0.82 HPGD (1.00) ABCG2HPGDALDH1A1LMNAPOLB
SCHEMBL22201578 0.81 HPGD (0.86) ABCG2HPGDALDH1A1LMNAPOLB
SCHEMBL22201338 0.81 ABCG2 (0.76) ABCG2HPGDALDH1A1LMNAPOLB
SCHEMBL22201670 0.81 HPGD (0.68) ABCG2HPGDALDH1A1LMNAPOLB
SCHEMBL7434986 0.80 ALDH1A1 (1.00) ABCG2HPGDALDH1A1LMNAPOLB
SCHEMBL14262837 0.80 KDM4E (0.94) ABCG2HPGDALDH1A1LMNAPOLB

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