SCHEMBL9536669

SCHEMBL9536669

N#Cc1cc(Cl)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 7/20 0.56
MERTK Q12866 2/20 0.48
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 4/20 0.45
GRIA1 P42261 2/20 0.45
GRIA2 P42262 2/20 0.45
GRIA3 P42263 2/20 0.45
GRIA4 P48058 2/20 0.45
GRM6 O15303 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL1624405 0.92 VCAM1 (0.56) VCAM1MERTKTSHRMAPK1MAPT
SCHEMBL7642508 0.90 VCAM1 (0.58) VCAM1MERTKTSHRMAPK1MAPT
SCHEMBL1343713 0.89 VCAM1 (0.61) VCAM1MERTKTSHRMAPK1MAPT
SCHEMBL11329936 0.86 VCAM1 (0.62) VCAM1MERTKTSHRMAPK1MAPT
SCHEMBL2403679 0.84 VCAM1 (0.51) VCAM1MERTKTSHRMAPK1MAPT
SCHEMBL9180125 0.81 TSHR (0.62) VCAM1TSHRMAPK1ALOX15ALDH1A1
SCHEMBL23361544 0.80 VCAM1 (0.51) VCAM1MERTKTSHRMAPK1MAPT
SCHEMBL1192365 0.80 VCAM1 (0.51) VCAM1MERTKTSHRMAPTGRIA1
SCHEMBL1291838 0.80 VCAM1 (0.51) VCAM1MERTKMAPTGRIA1GRIA2
SCHEMBL1344104 0.80 VCAM1 (0.51) VCAM1MERTKTSHRMAPTGRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
CN-88103277-A Novel N-alkane sulfonyl aniline derivatives and preparation method thereof and the pharmaceutical composition that comprises this material 1988-12-07 CN disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed