SCHEMBL259813

SCHEMBL259813

Cc1cc(N)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.60
GPR35 Q9HC97 1/20 0.55
CYP3A4 P08684 5/20 0.50
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 2/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 7/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43

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
SCHEMBL260768 0.84 GPR35 (0.67) TSHRGPR35CYP3A4ALDH1A1CYP1A2
SCHEMBL1330407 0.83 TSHR (0.55) TSHRCYP3A4ALDH1A1CYP1A2RECQL
SCHEMBL629679 0.83 TSHR (0.55) TSHRCYP3A4ALDH1A1CYP1A2RECQL
SCHEMBL7786697 0.83 TSHR (0.60) TSHRGPR35CYP3A4ALDH1A1CYP1A2
SCHEMBL938651 0.82 GPR35 (0.61) TSHRGPR35CYP3A4ALDH1A1CYP1A2
SCHEMBL9500151 0.81 TSHR (0.58) TSHRGPR35CYP3A4ALDH1A1CYP1A2
SCHEMBL2232801 0.80 GPR35 (0.61) TSHRGPR35CYP3A4ALDH1A1CYP1A2
Benzene SCHEMBL27490159 0.80 GPR35 (0.61) TSHRGPR35CYP3A4ALDH1A1CYP1A2
SCHEMBL4748374 0.80 TSHR (0.47) TSHRCYP3A4ALDH1A1CYP1A2RECQL
SCHEMBL5203487 0.80 CYP1A2 (0.52) TSHRCYP3A4ALDH1A1CYP1A2RECQL

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107840826-B 1H-indazole derivatives and application thereof as IDO (intermediate bonded oxygen) inhibitor 西华大学 2021-07-09 CN disclosed
CN-107033087-B 1H-indazole-4-amine compounds and use thereof as IDO inhibitors 西华大学 2020-09-04 CN disclosed
CN-107840826-A 1H-indazole derivatives and application thereof as IDO (intermediate bonded oxygen) inhibitor 西华大学 2018-03-27 CN disclosed
CN-107805221-A Method for preparing 1H-indazole derivative 西华大学 2018-03-16 CN disclosed
CN-107033087-A 1H- indazole -4- aminated compounds and its purposes as IDO inhibitor 西华大学 2017-08-11 CN disclosed
WO-2017133258-A1 1H-INDAZOLE DERIVATIVE AND USE THEREOF AS IDO INHIBITOR 西华大学 2017-08-10 WO disclosed
EP-1951042-B1 SPIROLACTAM TRICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
EP-1951051-B1 SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-03 EP disclosed
US-8163752-B2 Tricyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-04-24 US disclosed
US-8133891-B2 Tricyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-03-13 US disclosed
CN-1262547-C Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative HOFFMANN LA ROCHE (CH) 2006-07-05 CN disclosed
WO-2006031676-A2 TRICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 WO disclosed
WO-2006031491-A2 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 WO disclosed
CN-1176910-C Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives - 2004-11-24 CN disclosed
CN-1515559-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
CN-1515562-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