SCHEMBL22201690

SCHEMBL22201690

c1cc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c2ncc(-c3cc(Nc4nc(-c5cc[nH]n5)cc5ncccc45)cc4sc(C5CC5)nc34)cc2c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
GRM4 Q14833 1/20 0.31
TGFBR1 P36897 1/20 0.30

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
SCHEMBL22201223 0.85 GRM4 (0.38) CYP1A2GRM4TGFBR1
SCHEMBL22201225 0.83 TGFBR1 (0.38) CYP1A2GRM4TGFBR1
SCHEMBL22201226 0.76 PRKCH (0.37) CYP1A2GRM4TGFBR1
SCHEMBL22201366 0.74 MAPT (0.39) CYP1A2
SCHEMBL22201586 0.74 PRKCH (0.47) TGFBR1
SCHEMBL22201368 0.74 SYK (0.45) CYP1A2GRM4TGFBR1
SCHEMBL22201489 0.74 SYK (0.37) CYP1A2GRM4TGFBR1
SCHEMBL22201536 0.74 ACP1 (0.36) CYP1A2GRM4TGFBR1
SCHEMBL22201324 0.73 ADORA3 (0.39) CYP1A2GRM4TGFBR1
SCHEMBL22201531 0.73 ABL1 (0.38) TGFBR1

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