SCHEMBL8439833

SCHEMBL8439833

CCN(C(=O)CCl)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
PAX8 Q06710 2/20 0.46
JAK2 O60674 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 5/20 0.45
HTT P42858 3/20 0.45
GLA P06280 2/20 0.45
BCL2A1 Q16548 1/20 0.43
TSHR P16473 1/20 0.43
YAP1 P46937 1/20 0.43
TEAD4 Q15561 1/20 0.43
TEAD2 Q15562 1/20 0.43
CYP3A4 P08684 1/20 0.41
RNF4 P78317 1/20 0.40
POLB P06746 2/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL21785057 0.85 OPRM1 (0.49) SMN1; SMN2ALDH1A1HTTGLATSHR
SCHEMBL8443789 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HTTGLATSHR
SCHEMBL8553241 0.82 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HTTGLATSHR
SCHEMBL2032136 0.81 NPC1 (0.66) NPC1RAB9APAX8JAK2SMN1; SMN2
SCHEMBL24795106 0.81 MLYCD (0.49) NPC1RAB9APAX8JAK2SMN1; SMN2
SCHEMBL5045338 0.79 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1HTTGLATSHR
SCHEMBL22289656 0.79 NPC1 (0.42) NPC1RAB9APAX8JAK2SMN1; SMN2
SCHEMBL20964605 0.79 LTB4R2 (0.45) SMN1; SMN2ALDH1A1GLATSHRPOLB
SCHEMBL27580163 0.78 RAB9A (0.41) NPC1RAB9APAX8JAK2SMN1; SMN2
SCHEMBL11870580 0.78 ALDH1A1 (0.46) NPC1RAB9APAX8JAK2SMN1; SMN2

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-0626380-B1 N-(4-Fluorophenyl)-heteroaryloxyacetamide as herbicides BAYER AG (DE) 1999-01-13 EP disclosed
EP-0626380-A1 N-(4-Fluorophenyl)-heteroaryloxyacetamide as herbicides BAYER AG (DE) 1994-11-30 EP disclosed