SCHEMBL9722713

SCHEMBL9722713

O=C(Cl)C(Cl)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.46
CES1 P23141 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CES2 O00748 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
HTR2A P28223 1/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
SRD5A2 P31213 1/20 0.44

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
SCHEMBL28320340 0.86 MEN1 (0.48) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL9770422 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL9770360 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL9770548 0.81 LMNA (0.58) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL11848197 0.81 MAPT (0.50) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL26555623 0.80 CA1 (0.50) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL3535210 0.80 MAPT (0.56) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL10344264 0.80 HSPB1 (0.50) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL9770479 0.79 MEN1 (0.49) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL9362707 0.78 MEN1 (0.54) ALDH1A1KMT2AMEN1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109906217-A Diamine compound, heat-resistant resin and resin combination using it 东丽株式会社 2019-06-18 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