SCHEMBL8425558

SCHEMBL8425558

O=C(N=C1SC(Br)CN1c1cccc(C(F)(F)F)c1)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
POLB P06746 2/20 0.37
ACACB O00763 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.36
CFTR P13569 1/20 0.36
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
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CES2 O00748 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
SCHEMBL8425854 0.94 NOTUM (0.41) NOTUMPOLBACACBMEN1KMT2A
SCHEMBL8423325 0.92 NOTUM (0.39) NOTUMPOLBACACBMEN1KMT2A
SCHEMBL9229924 0.90 NOTUM (0.40) NOTUMPOLBACACBMEN1KMT2A
SCHEMBL8425467 0.87 NOTUM (0.41) NOTUMPOLBACACBMEN1KMT2A
SCHEMBL8424243 0.87 NOTUM (0.41) NOTUMPOLBACACBMEN1KMT2A
SCHEMBL8424561 0.84 NOTUM (0.39) NOTUMPOLBACACBMEN1KMT2A
SCHEMBL9065090 0.81 ALDH1A1 (0.44) NOTUMSMN1; SMN2CNR2ALDH1A1LMNA
SCHEMBL8425728 0.80 NOTUM (0.41) NOTUMPOLBACACBMEN1KMT2A
SCHEMBL8424321 0.80 NOTUM (0.41) NOTUMPOLBACACBMEN1KMT2A
SCHEMBL8428186 0.80 NOTUM (0.40) NOTUMPOLBACACBMEN1KMT2A

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