SCHEMBL22201289

SCHEMBL22201289

Fc1cccc(Nc2nc(-c3cncnc3)nc3ccccc23)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 14/20 0.79
ALDH1A1 P00352 2/20 0.76
LMNA P02545 2/20 0.76
HPGD P15428 2/20 0.76
POLB P06746 1/20 0.76
GSK3A P49840 1/20 0.76
GSK3B P49841 1/20 0.76
KDM1A O60341 1/20 0.62
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
TSHR P16473 2/20 0.60
USP2 O75604 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
MAPT P10636 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
EGFR P00533 1/20 0.59

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
SCHEMBL1083761 0.86 HPGD (1.00) ABCG2ALDH1A1LMNAHPGDPOLB
SCHEMBL14474617 0.83 ABCG2 (0.80) ABCG2ALDH1A1LMNAHPGDPOLB
SCHEMBL14475538 0.83 ABCG2 (0.60) ABCG2ALDH1A1LMNAHPGDPOLB
SCHEMBL14474568 0.83 ABCG2 (0.60) ABCG2ALDH1A1LMNAHPGDPOLB
SCHEMBL22201628 0.82 ABCG2 (0.83) ABCG2ALDH1A1LMNAHPGDPOLB
SCHEMBL1083806 0.80 MEN1 (0.71) ABCG2ALDH1A1LMNAHPGDPOLB
SCHEMBL22201264 0.80 ABCG2 (0.71) ABCG2ALDH1A1LMNAHPGDPOLB
SCHEMBL22201484 0.80 HPGD (0.71) ABCG2ALDH1A1LMNAHPGDPOLB
SCHEMBL1064930 0.79 TGFBR1 (0.78) ABCG2ALDH1A1LMNAHPGDPOLB
SCHEMBL14475062 0.78 KDM1A (0.57) ABCG2ALDH1A1LMNAHPGDPOLB

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