SCHEMBL22201438

SCHEMBL22201438

N#Cc1nc2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.66
HPGD P15428 4/20 0.60
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 3/20 0.60
POLB P06746 2/20 0.60
LMNA P02545 2/20 0.60
PDE5A O76074 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPT P10636 1/20 0.60
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
RXFP1 Q9HBX9 1/20 0.57
ABCB1 P08183 3/20 0.57
USP2 O75604 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CASP1 P29466 1/20 0.57
TGFBR1 P36897 1/20 0.57
MAPK14 Q16539 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
SCHEMBL22201471 0.85 KDM4E (0.66) ABCG2HPGDALDH1A1KDM4EPOLB
SCHEMBL22201556 0.82 HPGD (0.62) ABCG2HPGDALDH1A1KDM4EPOLB
SCHEMBL22201557 0.82 ALDH1A1 (0.59) ABCG2HPGDALDH1A1KDM4EPOLB
SCHEMBL22201558 0.82 ALDH1A1 (0.59) ABCG2HPGDALDH1A1KDM4EPOLB
SCHEMBL22201555 0.82 ALDH1A1 (0.59) ABCG2HPGDALDH1A1KDM4EPOLB
SCHEMBL22201559 0.82 HPGD (0.58) ABCG2HPGDALDH1A1KDM4EPOLB
SCHEMBL22201571 0.79 ABCG2 (1.00) ABCG2HPGDALDH1A1KDM4EPOLB
SCHEMBL22201568 0.78 HPGD (0.71) ABCG2HPGDALDH1A1KDM4EPOLB
SCHEMBL22201672 0.78 HPGD (0.64) ABCG2HPGDALDH1A1KDM4EPOLB
SCHEMBL3460305 0.77 ALDH1A1 (0.94) ABCG2HPGDALDH1A1KDM4EPOLB

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