SCHEMBL4413343

SCHEMBL4413343

CNC(=O)OCc1cc(-c2cccnc2F)n(S(=O)(=O)c2cccc(F)c2F)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 6/20 0.33
KAT8 Q9H7Z6 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NAMPT P43490 1/20 0.31
GRIN2B Q13224 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
CCKBR P32239 1/20 0.31
GSK3B P49841 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GRM5 P41594 1/20 0.30
GRM4 Q14833 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
SCHEMBL1580576 0.84 HTR6 (0.35) NAMPT
SCHEMBL4792381 0.83 NAMPT (0.32) NAMPTTOP2ATOP2BGRM4
Hydrochloric Acid SCHEMBL2411368 0.83 HTR6 (0.34) NAMPT
SCHEMBL5003485 0.81 USP19 (0.36) CCNT1CDK9
SCHEMBL4416225 0.80 KAT6A (0.31) KAT6A
SCHEMBL5003489 0.80 NAMPT (0.34) NPC1RAB9ANAMPTRXFP1GRM4
SCHEMBL2408620 0.79 HTR2C (0.36) KAT6AKAT8
SCHEMBL2412112 0.78 KAT6A (0.32) KAT6ANAMPT
SCHEMBL2408624 0.78 L3MBTL1 (0.33) CCNT1CDK9GRM4
SCHEMBL1580742 0.77 AKT1 (0.36) KAT6A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO disclosed