SCHEMBL22201337

SCHEMBL22201337

COc1cc(C)cc(Nc2nc(-c3ccncc3)nc3ccccc23)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.76
ABCB1 P08183 6/20 0.76
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
ABCC1 P33527 1/20 0.73
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 2/20 0.67
RXFP1 Q9HBX9 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.66
TP53 P04637 2/20 0.66
MAPT P10636 2/20 0.66
HPGD P15428 2/20 0.66
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
MAPK1 P28482 1/20 0.66
CASP1 P29466 1/20 0.66
CYP2C19 P33261 1/20 0.66
CASP7 P55210 1/20 0.66

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
SCHEMBL22201428 0.91 ALDH1A1 (0.81) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201338 0.89 ABCG2 (0.76) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201361 0.86 ABCG2 (1.00) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201344 0.85 ALDH1A1 (0.72) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL1083764 0.85 ABCG2 (1.00) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201663 0.84 ALDH1A1 (0.70) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201579 0.82 ABCG2 (0.85) ABCG2ABCB1MEN1KMT2AKDM4E
SCHEMBL1063510 0.82 ABCG2 (0.91) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201677 0.82 ALDH1A1 (0.67) ABCG2ABCB1MEN1KMT2AABCC1
SCHEMBL22201440 0.81 ABCG2 (0.74) ABCG2ABCB1MEN1KMT2AABCC1

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