SCHEMBL7734099

SCHEMBL7734099

O=[C]c1ccc([C]=O)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.44
TSHR P16473 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 3/20 0.35
GRIA1 P42261 2/20 0.35
GRIA2 P42262 2/20 0.35
GRIA3 P42263 2/20 0.35
GRIA4 P48058 2/20 0.35
ALOX15 P16050 2/20 0.35
GRM6 O15303 1/20 0.35
CYP1A2 P05177 1/20 0.35
PTPN11 Q06124 1/20 0.35
TDP1 Q9NUW8 6/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL28326042 0.87 VCAM1 (0.62) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL11673788 0.84 TSHR (0.44) VCAM1TSHRCYP3A4MAPTALOX15
SCHEMBL2483754 0.83 TSHR (0.52) VCAM1TSHRCYP3A4MAPTGRIA1
SCHEMBL1795352 0.80 TDP1 (0.57) VCAM1TSHRMAPTCYP1A2TDP1
SCHEMBL7151564 0.78 MAPK1 (0.58) VCAM1TSHRCYP3A4MAPTALOX15
SCHEMBL27799226 0.78 MAPT (0.60) VCAM1TSHRCYP3A4MAPTALOX15
SCHEMBL698857 0.78 VCAM1 (0.71) VCAM1TSHRMAPTTDP1MAPK1
SCHEMBL697848 0.78 ALDH1A1 (0.58) VCAM1MAPTTDP1MEN1KMT2A
SCHEMBL5163347 0.78 TSHR (0.56) VCAM1TSHRCYP3A4MAPTTDP1
SCHEMBL7664972 0.78 VCAM1 (0.71) VCAM1TSHRTDP1MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019154728-A1 PROCESS FOR PREPARATION OF 1-NITROBENZENE-2-ALKYLOXYCARBONYL-5-CARBOXYLIC ACID CLARIANT PLASTICS & COATINGS LTD (CH) 2019-08-15 WO claimed
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 US claimed
JP-10007905-A None JP disclosed
WO-2019154728-A1 PROCESS FOR PREPARATION OF 1-NITROBENZENE-2-ALKYLOXYCARBONYL-5-CARBOXYLIC ACID CLARIANT PLASTICS & COATINGS LTD (CH) 2019-08-15 WO disclosed
US-6420511-B1 SEPARATION AND PURIFICATION OF POLYESTERS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-07-16 US disclosed
JP-H107905-A AROMATIC POLYAMIDE COMPOSITE AND ITS PREPARATION DAINIPPON INK & CHEM INC 1998-01-13 JP disclosed
US-5637653-A Polymer blend materials composed of an aromatic polyamide and a soluble polyamide DAINIPPON INK AND CHEMICALS, INCORPORATED (JP) 1997-06-10 US disclosed
US-4035344-A Process for preparing ordered aromatic copolyamide urea polymer THE FIRESTONE TIRE & RUBBER COMPANY (US) 1977-07-12 US disclosed
US-3960818-A Ordered aromatic copolyamide urea polymer THE FIRESTONE TIRE & RUBBER COMPANY (US) 1976-06-01 US disclosed
US-3936478-A Process for the preparation of desmosterol derivatives TEIJIN LIMITED (JA) 1976-02-03 US disclosed