SCHEMBL8830256

SCHEMBL8830256

NC(=O)C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 8/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
ALPG P10696 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
APP P05067 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
PHGDH O43175 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE7A Q13946 1/20 0.39
KCNMA1 Q12791 1/20 0.39

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
SCHEMBL8830303 0.88 MAPT (0.42) TSHRMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL9246536 0.86 MAPT (0.46) MAPK1MAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL377354 0.86 MAPT (0.46) MAPK1MAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL29456982 0.86 MAPT (0.46) MAPK1MAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL8830304 0.78 GRIK1 (0.39) MAPTALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL8974822 0.76 KMT2A (0.37) MAPK1MAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL8916681 0.75 ITGB1 (0.44) MAPK1MAPTALDH1A1PKMSMN1; SMN2
SCHEMBL9030000 0.74 MAPT (0.47) MAPK1MAPTALDH1A1PKMSMN1; SMN2
SCHEMBL11341072 0.74 TDP1 (0.42) TSHRMAPK1MAPTALDH1A1TDP1
SCHEMBL3840810 0.73 MAPT (0.54) TSHRMAPK1MAPTALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684049-A HIV-inhibiting benzeneacetamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1997-11-04 US claimed
EP-0538301-B1 HIV-INHIBITING BENZENEACETAMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1996-10-30 EP claimed
US-5556886-A VIRICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-17 US claimed
CN-1107835-A A process for preparing pharmaceutical composition showing properties in against human immunodeficiency virus JANSSEN PHARMACEUTICA NV (BE) 1995-09-06 CN claimed
EP-0666744-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1995-08-16 EP claimed
CN-1028990-C Process for preparing phenylacetamide derivatives for inhibiting human immunodeficiency virus JANSSEN PHARMACEUTICA NV (BE) 1995-06-21 CN claimed
WO-1994009781-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1994-05-11 WO claimed
US-5684049-A HIV-inhibiting benzeneacetamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1997-11-04 US disclosed
EP-0538301-B1 HIV-INHIBITING BENZENEACETAMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1996-10-30 EP disclosed
US-5556886-A VIRICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-17 US disclosed
CN-1107835-A A process for preparing pharmaceutical composition showing properties in against human immunodeficiency virus JANSSEN PHARMACEUTICA NV (BE) 1995-09-06 CN disclosed
EP-0666744-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1995-08-16 EP disclosed
CN-1028990-C Process for preparing phenylacetamide derivatives for inhibiting human immunodeficiency virus JANSSEN PHARMACEUTICA NV (BE) 1995-06-21 CN disclosed
WO-1994009781-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1994-05-11 WO disclosed
EP-0538301-A1 HIV-INHIBITING BENZENEACETAMIDE DERIVATIVES. JANSSEN PHARMACEUTICA NV (BE) 1993-04-28 EP disclosed
CN-1058958-A HIV inhibiting phenylacetamide derivatives JANSSEN PHARMACEUTICA NV (BE) 1992-02-26 CN disclosed
WO-1992000952-A1 HIV-INHIBITING BENZENEACETAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-01-23 WO disclosed