SCHEMBL5200982

SCHEMBL5200982

Cc1c(O)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
GPR35 Q9HC97 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 1/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
POLB P06746 1/20 0.38
VCAM1 P19320 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL7878203 0.85 GPR35 (0.44) ALDH1A1TSHRTDP1GPR35KMT2A
SCHEMBL27812647 0.84 GPR35 (0.50) ALDH1A1TSHRTDP1GPR35GAA
SCHEMBL7620045 0.84 TSHR (0.46) ALDH1A1TSHRTDP1SMN1; SMN2HSD17B10
SCHEMBL10455740 0.82 GPR35 (0.48) ALDH1A1TSHRTDP1GPR35SMN1; SMN2
SCHEMBL5206322 0.80 ALDH1A1 (0.54) ALDH1A1TSHRTDP1GPR35SMN1; SMN2
SCHEMBL10362361 0.80 TSHR (0.48) ALDH1A1TSHRTDP1GPR35SMN1; SMN2
SCHEMBL4217610 0.80 TSHR (0.43) ALDH1A1TSHRTDP1GPR35HSD17B10
SCHEMBL10420952 0.80 ALDH1A1 (0.48) ALDH1A1TSHRTDP1SMN1; SMN2HSD17B10
SCHEMBL2002527 0.78 TDP1 (0.53) ALDH1A1TSHRTDP1SMN1; SMN2HSD17B10
SCHEMBL258792 0.78 GPR35 (0.55) ALDH1A1TSHRTDP1GPR35SMN1; SMN2

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
EP-0039030-B1 COUPLER COMPONENTS FOR OXIDATIVE HAIR DYES, THEIR PREPARATION AND THEIR USE, AND HAIR DYEING COMPOSITIONS CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1984-07-18 EP claimed
EP-0039030-A1 Coupler components for oxidative hair dyes, their preparation and their use, and hair dyeing compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP claimed
CN-102939290-A 2,3 dihydro-1h-inden-1-yl- 2,7-diazaspiro [3.6] nonane derivatives and their use as antagonists or inverse agonists of the ghrelin receptor PFIZER 2013-02-20 CN disclosed
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
CN-1262547-C Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative HOFFMANN LA ROCHE (CH) 2006-07-05 CN disclosed
CN-1176910-C Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives - 2004-11-24 CN disclosed
CN-1515562-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
CN-1515559-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed
CN-1203228-A Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives HOFFMANN LA ROCHE (CH) 1998-12-30 CN disclosed
EP-0039030-B1 COUPLER COMPONENTS FOR OXIDATIVE HAIR DYES, THEIR PREPARATION AND THEIR USE, AND HAIR DYEING COMPOSITIONS CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1984-07-18 EP disclosed
EP-0039030-A1 Coupler components for oxidative hair dyes, their preparation and their use, and hair dyeing compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP disclosed
EP-0039030-A1 Coupler components for oxidative hair dyes, their preparation and their use, and hair dyeing compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP disclosed