SCHEMBL6938672

SCHEMBL6938672

CC(C)N(C(=O)CCl)c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
LMNA P02545 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
TP53 P04637 1/20 0.70
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42
KMT2A Q03164 3/20 0.40
MLYCD O95822 1/20 0.40
S100A4 P26447 1/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCKAR P32238 1/20 0.38

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
SCHEMBL8864904 0.84 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2TP53KMT2A
SCHEMBL5718403 0.84 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2TP53KMT2A
SCHEMBL22311444 0.84 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2TP53MAPT
SCHEMBL5103764 0.83 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2TP53TDP1
Propachlor SCHEMBL65571 0.82 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2TP53MAPT
Propachlor SCHEMBL1701162 0.82 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2TP53MAPT
SCHEMBL30267569 0.81 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2TP53MAPT
SCHEMBL6762131 0.80 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2TP53MAPT
SCHEMBL25316112 0.80 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2TP53MAPT
Acetic Acid SCHEMBL6262503 0.80 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2TP53KMT2A

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041200-B Method for synthesizing N- (4-fluoroaniline) -2-hydroxy-N-isopropyl acetamide 大连奇凯医药科技有限公司 2024-05-28 CN claimed
CN-116041200-A Method for synthesizing N- (4-fluoroaniline) -2-hydroxy-N-isopropyl acetamide 大连奇凯医药科技有限公司 2023-05-02 CN claimed
EP-0884304-B1 Process for the preparation of F-(4-Fluoro-phenyl)-N-isopropyl-chloracetamide BAYER AG (DE) 2001-07-04 EP claimed
EP-0709368-B1 Herbicidal agent based on the N-(4-fluorphenyl)-N-isopropyl-chloroacetamide BAYER AG (DE) 1999-03-31 EP claimed
EP-0884304-A2 Process for the preparation of F-(4-Fluoro-phenyl)-N-isopropyl-chloracetamide BAYER AG (DE) 1998-12-16 EP claimed
US-5831126-A FROM CHLOROACETYL CHLORIDE AND P-FLUORO-N-ISOPROPYLANILINE BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US claimed
US-5808152-A Synthesis of N-(4-fluorophenyl)-2-hydroxy-N-(1-methylethyl)acetamide using sodium formate BAYER CORPORATION (US) 1998-09-15 US claimed
US-5808153-A Conversion of N-(4-fluorophenyl)-2-hydroxy-N-(1-methylethyl) acetamide acetate to N-4-fluorophenyl)-2-hydroxy-N-(1-methylethyl) acetamide BAYER CORPORATION 1998-09-15 US claimed
US-5639713-A Herbicidal compositions based on N-(4-fluoro-phenyl)-N-isopropyl-chloroacetamide, and process for the preparation of this compound BAYER AKTIENGESELLSCHAFT (DE) 1997-06-17 US claimed
EP-0709368-A1 Herbicidal agent based on the N-(4-fluorphenyl)-N-isopropyl-chloroacetamide and process for its preparation BAYER AG (DE) 1996-05-01 EP claimed
JP-8225407-A None JP disclosed
CN-116041200-B Method for synthesizing N- (4-fluoroaniline) -2-hydroxy-N-isopropyl acetamide 大连奇凯医药科技有限公司 2024-05-28 CN disclosed
CN-116041200-B Method for synthesizing N- (4-fluoroaniline) -2-hydroxy-N-isopropyl acetamide 大连奇凯医药科技有限公司 2024-05-28 CN disclosed
CN-116041200-A Method for synthesizing N- (4-fluoroaniline) -2-hydroxy-N-isopropyl acetamide 大连奇凯医药科技有限公司 2023-05-02 CN disclosed
CN-116041200-A Method for synthesizing N- (4-fluoroaniline) -2-hydroxy-N-isopropyl acetamide 大连奇凯医药科技有限公司 2023-05-02 CN disclosed
EP-0709368-A1 Herbicidal agent based on the N-(4-fluorphenyl)-N-isopropyl-chloroacetamide and process for its preparation BAYER AG (DE) 1996-05-01 EP disclosed
EP-0688763-A1 Process for preparing anilides of hydroxycarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-27 EP disclosed
EP-0678502-A1 Process for preparing glycoloylanilides HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-25 EP disclosed
US-4453965-A N-Isopropylcarbanilylmethyl dithiophosphates as pre-emergent herbicides CHEVRON U.S.A. INC. 1984-06-12 US disclosed
US-4418021-A INSECTICIDES, PREEMERGENCE HERBICIDES GULF OIL CORPORATION (US) 1983-11-29 US disclosed