SCHEMBL9085282

SCHEMBL9085282

CC1CN(c2ccc(F)c(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 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
AR P10275 12/20 0.40
ACACB O00763 2/20 0.39
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL8425521 0.93 NOTUM (0.42) NOTUMARACACBTAS1R3TAS1R1
SCHEMBL8424215 0.91 NOTUM (0.42) NOTUMARACACBTAS1R3TAS1R1
SCHEMBL8424641 0.89 NOTUM (0.40) NOTUMARACACBTAS1R3TAS1R1
SCHEMBL9255706 0.87 NOTUM (0.44) NOTUMARACACBTAS1R3TAS1R1
SCHEMBL9253749 0.86 NOTUM (0.43) NOTUMARACACBTAS1R3TAS1R1
SCHEMBL8428103 0.83 MTOR (0.32)
SCHEMBL8427942 0.83 ALOX5 (0.40) NOTUMACACB
SCHEMBL8425429 0.82 ACACB (0.41) NOTUMACACB
SCHEMBL9083674 0.78 NOTUM (0.42) NOTUMACACBTAS1R3TAS1R1TAS1R2
SCHEMBL8428043 0.75 MTOR (0.33) NOTUM

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
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