SCHEMBL22201442

SCHEMBL22201442

c1ccc2c(Nc3ccc4cn[nH]c4c3)nc(-c3ccncc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 3/20 0.64
POLB P06746 2/20 0.64
PDE5A O76074 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 1/20 0.64
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61
ABCG2 Q9UNQ0 12/20 0.61
RXFP1 Q9HBX9 1/20 0.61
TGFBR1 P36897 1/20 0.60
MAPK14 Q16539 1/20 0.60
ABCB1 P08183 3/20 0.60
MEN1 O00255 1/20 0.57
ABCC1 P33527 1/20 0.57
KMT2A Q03164 1/20 0.57
LATS1 O95835 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
SCHEMBL22201296 0.90 LATS1 (0.52) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL22201285 0.86 ABCG2 (0.55) ABCG2
SCHEMBL2298345 0.85 ROCK2 (0.54) HPGDSMN1; SMN2LMNAMAPTABCG2
SCHEMBL14320680 0.84 SYK (0.46) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL29395013 0.84 TGFBR1 (0.71) PDE5ALMNAMAPTABCG2TGFBR1
SCHEMBL13154697 0.84 TGFBR1 (0.71) PDE5ALMNAMAPTABCG2TGFBR1
SCHEMBL22201678 0.83 HPGD (0.65) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL3587569 0.82 TGFBR1 (0.69) PDE5AABCG2TGFBR1MEN1KMT2A
SCHEMBL22201300 0.82 TGFBR1 (0.52) HPGDALDH1A1KDM4EPDE5ALMNA
SCHEMBL22201342 0.81 HPGD (0.70) HPGDALDH1A1KDM4EPOLBPDE5A

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