SCHEMBL22201604

SCHEMBL22201604

Cc1nc2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2o1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 3/20 0.66
RXFP1 Q9HBX9 1/20 0.66
HPGD P15428 3/20 0.62
POLB P06746 2/20 0.62
PDE5A O76074 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 1/20 0.62
ABCG2 Q9UNQ0 12/20 0.62
ABCB1 P08183 3/20 0.62
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ABCC1 P33527 1/20 0.59
TGFBR1 P36897 1/20 0.59
MAPK14 Q16539 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
SCHEMBL22201601 0.91 ALDH1A1 (0.66) ALDH1A1KDM4ERXFP1HPGDPOLB
SCHEMBL22201420 0.89 LATS1 (0.54) ALDH1A1KDM4ERXFP1HPGDPOLB
SCHEMBL22201695 0.87 ALDH1A1 (0.49) ALDH1A1KDM4ERXFP1HPGDPOLB
SCHEMBL22201615 0.86 ALDH1A1 (0.59) ALDH1A1KDM4ERXFP1HPGDPOLB
SCHEMBL22201457 0.86 ALDH1A1 (0.59) ALDH1A1KDM4ERXFP1HPGDPOLB
SCHEMBL22201413 0.86 ABCG2 (0.53) ALDH1A1KDM4ERXFP1ABCG2
SCHEMBL22201464 0.84 POLB (0.58) ALDH1A1KDM4ERXFP1HPGDPOLB
SCHEMBL22201461 0.84 ABCG2 (0.66) ALDH1A1KDM4ERXFP1HPGDPOLB
SCHEMBL22201428 0.82 ALDH1A1 (0.81) ALDH1A1KDM4ERXFP1HPGDPOLB
SCHEMBL22201460 0.81 PRKD1 (0.68) ALDH1A1KDM4ERXFP1HPGDPOLB

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