SCHEMBL22201600

SCHEMBL22201600

c1ccc2c(Nc3ccc4c(c3)CCN4)nc(-c3ccncc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 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
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
ABCG2 Q9UNQ0 12/20 0.60
RXFP1 Q9HBX9 1/20 0.60
TGFBR1 P36897 1/20 0.59
MAPK14 Q16539 1/20 0.59
ABCB1 P08183 3/20 0.59
MEN1 O00255 1/20 0.56
ABCC1 P33527 1/20 0.56
KMT2A Q03164 1/20 0.56
LATS1 O95835 1/20 0.56

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
SCHEMBL22201609 0.88 HPGD (0.67) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL22201610 0.82 HPGD (0.59) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL22201608 0.82 HPGD (0.59) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL31219507 0.82 ABCG2 (0.45) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL3460305 0.78 ALDH1A1 (0.94) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL7434986 0.78 ALDH1A1 (1.00) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL14262837 0.78 KDM4E (0.94) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL22201678 0.78 HPGD (0.65) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL22201578 0.77 HPGD (0.86) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL22201568 0.77 HPGD (0.71) 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