SCHEMBL22201605

SCHEMBL22201605

O=c1[nH]c2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 18)

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
ABCG2 Q9UNQ0 12/20 0.61
ABCB1 P08183 3/20 0.61
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
TGFBR1 P36897 1/20 0.60
MAPK14 Q16539 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ABCC1 P33527 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
SCHEMBL22201680 0.81 ALDH1A1 (0.66) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL22201551 0.81 ALDH1A1 (0.66) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL22201341 0.81 PRKD1 (0.66) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL22201678 0.81 HPGD (0.65) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL22201381 0.81 PRKCH (0.51) HPGDPOLBLMNAMAPTABCG2
SCHEMBL22201442 0.80 HPGD (0.64) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL22201603 0.80 HPGD (0.64) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL22201477 0.80 HPGD (0.64) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL22201474 0.80 HPGD (0.64) HPGDALDH1A1KDM4EPOLBPDE5A
SCHEMBL3460305 0.79 ALDH1A1 (0.94) 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