SCHEMBL22201626

SCHEMBL22201626

CC(=O)n1ccc2cc(Nc3nc(-c4ccncc4)nc4ccccc34)ccc21

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.61
ABCB1 P08183 5/20 0.61
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 4/20 0.57
RXFP1 Q9HBX9 1/20 0.57
HPGD P15428 3/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
POLB P06746 2/20 0.57
PDE5A O76074 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
ABCC1 P33527 1/20 0.54
TGFBR1 P36897 1/20 0.54
MAPK14 Q16539 1/20 0.54

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
SCHEMBL22201673 0.85 KDM1A (0.67) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL15977173 0.79 ABCG2 (0.82) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL22201669 0.79 ALDH1A1 (0.63) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL22201676 0.78 TGFBR1 (0.68) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL7280956 0.76 ABCG2 (1.00) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL22201675 0.76 ALDH1A1 (0.61) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL15977127 0.75 ABCG2 (0.84) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL3460305 0.74 ALDH1A1 (0.94) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL22201447 0.74 HPGD (0.70) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL22201342 0.74 HPGD (0.70) ABCG2ABCB1MEN1KMT2AALDH1A1

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