SCHEMBL22201610

SCHEMBL22201610

c1ccc2c(Nc3ccc4c(c3)OCCN4)nc(-c3ccncc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.59
LMNA P02545 3/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 4/20 0.59
POLB P06746 2/20 0.59
PDE5A O76074 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
ABCG2 Q9UNQ0 12/20 0.56
RXFP1 Q9HBX9 1/20 0.56
ABCB1 P08183 3/20 0.56
TGFBR1 P36897 1/20 0.56
MAPK14 Q16539 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55

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 0.85 HPGD (0.67) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL22201600 0.82 HPGD (0.62) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL22201446 0.82 ALDH1A1 (0.80) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL9937633 0.79 ABCG2 (0.74) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL3460305 0.76 ALDH1A1 (0.94) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL22201343 0.76 HPGD (0.65) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL7434986 0.76 ALDH1A1 (1.00) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL14262837 0.76 KDM4E (0.94) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL22201608 0.76 HPGD (0.59) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL22201678 0.75 HPGD (0.65) HPGDLMNAMAPTALDH1A1KDM4E

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