SCHEMBL8425429

SCHEMBL8425429

CC1CN(c2cccc(C(F)(F)F)c2)C(=NC(=O)C(C(F)(F)F)C(F)(F)F)S1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.41
NOTUM Q6P988 2/20 0.40
CNR2 P34972 2/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.36
HTR7 P34969 1/20 0.36
CACNA1B Q00975 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8425728 0.93 NOTUM (0.41) ACACBNOTUMCNR2GAAMAPK1
SCHEMBL8424243 0.90 NOTUM (0.41) ACACBNOTUMCNR2GAAMAPK1
SCHEMBL8428411 0.88 NOTUM (0.39) ACACBNOTUMCNR2GAAMAPK1
SCHEMBL8427942 0.88 ALOX5 (0.40) ACACBNOTUMKMT2A
SCHEMBL9229924 0.87 NOTUM (0.40) ACACBNOTUMCNR2GAAMAPK1
SCHEMBL8423614 0.87 NOTUM (0.40) ACACBNOTUMCNR2GAAMAPK1
SCHEMBL9064539 0.87 NOTUM (0.43) ACACBNOTUMMAPK1HSD17B10POLB
SCHEMBL8423932 0.87 ACACB (0.39) ACACBNOTUMCNR2GAAMAPK1
SCHEMBL9064658 0.86 NOTUM (0.42) ACACBNOTUMGAAMAPK1HSD17B10
SCHEMBL9083674 0.85 NOTUM (0.42) ACACBNOTUMCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636616-B1 Process for production of fluoroalkanecarboxamide derivatives SUMITOMO CHEMICAL CO (JP) 1999-10-27 EP disclosed
US-5484933-A Process for production of fluoroalkane carboxamide derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-01-16 US disclosed
EP-0636616-A1 Process for production of fluoroalkanecarboxamide derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-01 EP disclosed