SCHEMBL22201416

SCHEMBL22201416

COc1ccc(Nc2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
PIK3CG P48736 8/20 0.37
PIK3CA P42336 8/20 0.37
PIK3CD O00329 7/20 0.37
PIK3CB P42338 6/20 0.37
MTOR P42345 4/20 0.37
KDM1A O60341 1/20 0.36
ACP1 P24666 1/20 0.35
PDE10A Q9Y233 1/20 0.34
BUB1 O43683 1/20 0.34
ABCB1 P08183 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
PI4KB Q9UBF8 2/20 0.34
PIP5K1C O60331 1/20 0.34
PI4KA P42356 1/20 0.34
RIPK2 O43353 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL22201239 0.87 PDE5A (0.39) USP2KMT2AABCB1ABCG2
SCHEMBL22201537 0.85 KDM4E (0.42) MEN1KMT2APDE10A
SCHEMBL22201415 0.82 PIP4K2A (0.37) MEN1KMT2A
SCHEMBL22201236 0.81 KDM4E (0.36) MEN1KMT2A
SCHEMBL22201365 0.81 ADORA3 (0.38) MEN1KMT2A
SCHEMBL22201242 0.79 HTR2C (0.38) MEN1KMT2AABCB1ABCG2HCRTR1
SCHEMBL22201273 0.78 SYK (0.37) MEN1KMT2AHCRTR1
SCHEMBL22201481 0.78 CSF1R (0.37) MEN1USP2KMT2APDE10AABCB1
SCHEMBL22201368 0.77 SYK (0.45) MEN1KMT2APDE10AABCB1ABCG2
SCHEMBL22201226 0.76 PRKCH (0.37) KDM1APDE10A

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