SCHEMBL22201624

SCHEMBL22201624

NC(=O)c1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.83
ABCB1 P08183 4/20 0.77
ALDH1A1 P00352 2/20 0.69
POLB P06746 2/20 0.69
HPGD P15428 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
LMNA P02545 1/20 0.69
GSK3A P49840 1/20 0.69
GSK3B P49841 1/20 0.69
KDM4E B2RXH2 2/20 0.69
PDE5A O76074 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
TGFBR1 P36897 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.64

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
SCHEMBL7280956 0.91 ABCG2 (1.00) ABCG2ABCB1ALDH1A1POLBHPGD
SCHEMBL13945461 0.83 MEN1 (0.97) ABCG2ABCB1MEN1KMT2AKDM4E
SCHEMBL7434986 0.83 ALDH1A1 (1.00) ABCG2ABCB1ALDH1A1POLBHPGD
SCHEMBL1083761 0.82 HPGD (1.00) ABCG2ABCB1ALDH1A1POLBHPGD
SCHEMBL22201448 0.81 ABCG2 (0.56) ABCG2ABCB1ALDH1A1POLBHPGD
SCHEMBL15977127 0.81 ABCG2 (0.84) ABCG2ABCB1ALDH1A1POLBHPGD
SCHEMBL1083771 0.81 MEN1 (0.98) ABCG2ABCB1ALDH1A1MEN1KMT2A
SCHEMBL22201579 0.81 ABCG2 (0.85) ABCG2ABCB1ALDH1A1POLBHPGD
SCHEMBL1083768 0.81 KDM4E (1.00) ABCG2ABCB1ALDH1A1POLBHPGD
SCHEMBL3460305 0.80 ALDH1A1 (0.94) ABCG2ABCB1ALDH1A1POLBHPGD

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