SCHEMBL22201631

SCHEMBL22201631

CC(C)(C)c1cc2cc(Nc3nc(-c4ccncc4)nc4ccccc34)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 1/20 0.62
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
RXFP1 Q9HBX9 1/20 0.59
POLB P06746 2/20 0.59
PDE5A O76074 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ABCG2 Q9UNQ0 13/20 0.59
ABCB1 P08183 5/20 0.59
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
MEN1 O00255 1/20 0.56
ABCC1 P33527 1/20 0.56
KMT2A Q03164 1/20 0.56
TGFBR1 P36897 1/20 0.56
MAPK14 Q16539 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
SCHEMBL22201294 0.90 LATS1 (0.48) HPGDLMNAMAPTKDM4EALDH1A1
SCHEMBL22201551 0.89 ALDH1A1 (0.66) HPGDLMNAMAPTKDM4EALDH1A1
SCHEMBL22201259 0.86 ABCG2 (0.51) ABCG2
SCHEMBL22201475 0.82 PRKCH (0.47) HPGDLMNAMAPTABCG2ABCB1
SCHEMBL22201341 0.82 PRKD1 (0.66) HPGDLMNAMAPTKDM4EALDH1A1
SCHEMBL22201680 0.80 ALDH1A1 (0.66) HPGDLMNAMAPTKDM4EALDH1A1
SCHEMBL22201605 0.79 HPGD (0.64) HPGDLMNAMAPTKDM4EALDH1A1
SCHEMBL22201678 0.78 HPGD (0.65) HPGDLMNAMAPTKDM4EALDH1A1
SCHEMBL16937290 0.77 HPGD (1.00) HPGDLMNAMAPTKDM4EALDH1A1
SCHEMBL29777076 0.77 HPGD (1.00) HPGDLMNAMAPTKDM4EALDH1A1

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