SCHEMBL9722709

SCHEMBL9722709

O=C(Cl)COc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
LMNA P02545 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 3/20 0.63
RAB9A P51151 2/20 0.59
TDP1 Q9NUW8 1/20 0.56
HPGD P15428 4/20 0.55
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ENPP2 Q13822 1/20 0.51
PDE7A Q13946 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL27542697 0.88 PTGDR2 (0.64) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL10544758 0.88 PTGDR2 (0.52) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL17538570 0.87 MAPT (0.65) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL9770348 0.85 KMT2A (0.53) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL7778630 0.84 MAPT (0.66) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL2923784 0.84 MAPT (0.59) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL9770543 0.84 ALDH1A1 (0.49) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL9770414 0.84 PTGDR2 (0.49) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL29028695 0.83 MAPT (0.61) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL5396606 0.82 KMT2A (0.53) MAPTLMNASMN1; SMN2ALDH1A1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160238-B Quinoxaline phenoxyacetic acid ester compound, and preparation method and application thereof 湖南省农业生物技术研究所 2023-07-25 CN disclosed
CN-115160238-A Quinoxaline phenoxyacetic acid ester compound and preparation method and application thereof 湖南省农业生物技术研究所 2022-10-11 CN disclosed
CN-1151162-C Substituted phenoxy acetoxyl alkyl hypophosphorous ester with herbicide activity and preparation 华中师范大学 2004-05-26 CN disclosed
CN-1351991-A Substituted phenoxy acetoxyl alkyl hypophosphorous ester with herbicide activity and preparation UNIV HUAZHONG (CN) 2002-06-05 CN disclosed
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US disclosed
US-5021559-A Water-soluble azo compounds containing a fiber-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
US-5010180-A Printing, dyeing HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed