SCHEMBL7768212

SCHEMBL7768212

CC(C)N(C(=O)CCl)c1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 3/20 0.61
TP53 P04637 2/20 0.61
KMT2A Q03164 6/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 4/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ESR1 P03372 1/20 0.37
PER2 O15055 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
TRPA1 O75762 1/20 0.35
MAPK1 P28482 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
SCHEMBL6265614 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNATP53KMT2A
SCHEMBL9211911 0.82 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNATP53KMT2A
SCHEMBL4696621 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNATP53KMT2A
SCHEMBL27861510 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNATP53KMT2A
SCHEMBL23723512 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNATP53KMT2A
SCHEMBL31541248 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNATP53KMT2A
SCHEMBL30382371 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNATP53KMT2A
SCHEMBL134547 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNATP53KMT2A
SCHEMBL9539264 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNATP53KMT2A
Propachlor SCHEMBL1701162 0.76 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2LMNATP53KMT2A

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-0884304-B1 Process for the preparation of F-(4-Fluoro-phenyl)-N-isopropyl-chloracetamide BAYER AG (DE) 2001-07-04 EP disclosed
EP-0884304-A3 Process for the preparation of F-(4-Fluoro-phenyl)-N-isopropyl-chloracetamide BAYER AG (DE) 1999-02-03 EP disclosed
EP-0884304-A2 Process for the preparation of F-(4-Fluoro-phenyl)-N-isopropyl-chloracetamide BAYER AG (DE) 1998-12-16 EP disclosed