SCHEMBL5157627

SCHEMBL5157627

Cc1c(-c2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.69
ALDH1A1 P00352 2/20 0.69
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KLK3 P07288 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.48
S100A4 P26447 2/20 0.47
PTPRC P08575 1/20 0.47
HPRT1 P00492 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL9550119 0.86 TDP1 (0.78) TDP1ALDH1A1TSHRSMN1; SMN2KLK3
SCHEMBL27775375 0.84 TDP1 (0.58) TDP1ALDH1A1TSHRSMN1; SMN2KLK3
SCHEMBL3538629 0.84 TDP1 (0.58) TDP1ALDH1A1TSHRSMN1; SMN2KLK3
SCHEMBL9550137 0.83 TDP1 (0.56) TDP1ALDH1A1TSHRSMN1; SMN2MAPK1
Benzene SCHEMBL28038982 0.82 ALDH1A1 (1.00) TDP1ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL44392 0.82 ALDH1A1 (1.00) TDP1ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL30196067 0.82 ALDH1A1 (1.00) TDP1ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL7939736 0.81 TSHR (0.69) TDP1ALDH1A1TSHRSMN1; SMN2KLK3
SCHEMBL3535775 0.80 TDP1 (0.53) TDP1ALDH1A1TSHRSMN1; SMN2KLK3
Water SCHEMBL2045405 0.80 ALDH1A1 (0.96) TDP1ALDH1A1TSHRHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101365685-B 2-(benzimidazol-1-yl)-acetamide biaryl derivatives and their use as inhibitors of the TRPV1 receptor N.V. ORGANON (NL) 2011-12-14 CN disclosed
CN-101365685-A 2-(benzimidazol-1-yl)-acetamide biaryl derivatives and their use as inhibitors of the TRPV1 receptor ORGANON NV (NL) 2009-02-11 CN disclosed
EP-1457813-B1 An improved electrochromic medium capable of producing a pre-selected color GENTEX CORP (US) 2007-01-24 EP disclosed
EP-1457813-A2 An improved electrochromic medium capable of producing a pre-selected color Gentex Corporation (US) 2004-09-15 EP disclosed
EP-0972227-B1 AN IMPROVED ELECTROCHROMIC MEDIUM CAPABLE OF PRODUCING A PRE-SELECTED COLOR GENTEX CORP (US) 2004-07-14 EP disclosed
US-6037471-A FOR ELECTROCHROMIC MIRRORS FOR MOTOR VEHICLES GENTEX CORPORATION (US) 2000-03-14 US disclosed
US-6020987-A Electrochromic medium capable of producing a pre-selected color GENTEX CORPORATION (US) 2000-02-01 US disclosed
EP-0972227-A1 AN IMPROVED ELECTROCHROMIC MEDIUM CAPABLE OF PRODUCING A PRE-SELECTED COLOR GENTEX CORPORATION (US) 2000-01-19 EP disclosed
US-5998617-A MIXTURE OF ELECTROACTIVE MATERIALS AT PRESELECTIVE CONCENTRATION; GRAY COLOR GENTEX CORPORATION (US) 1999-12-07 US disclosed
WO-1998044384-A1 AN IMPROVED ELECTROCHROMIC MEDIUM CAPABLE OF PRODUCING A PRE-SELECTED COLOR GENTEX CORPORATION (US) 1998-10-08 WO disclosed
WO-1997006144-A1 2-CARBOCYCLIC AND 2-HETEROCYCLIC QUINOLINE-4-CARBOXYLIC ACIDS AND SALTS THEREOF USEFUL AS IMMUNOSUPPRESSIVE AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-02-20 WO disclosed
US-5578609-A INHIBITORS OF DIHYDROOROTATE DEHYDROGENASE, ANTITUMOR, TREATMENT OF ORGAN REJECTION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-26 US disclosed
US-5523408-A USED FOR TREATMENT OR PREVENTION OF ORGAN TRANSPLANT REJECTION, GRAFT VERSUS HOST DISEASE, CHRONIC INFLAMMATORY DISEASES LIKE PSORIASIS, RHEUMATOID ARTHRITIS IN MAMMAL THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-06-04 US disclosed
US-5200544-A Acid generator, acid sensitive polymer; photosensitivity AT&T BELL LABORATORIES (US) 1993-04-06 US disclosed
US-5135838-A Resin sensitive to UV radiation and a nitrobenzyl compound that generates an acid AT&T BELL LABORATORIES (US) 1992-08-04 US disclosed