SCHEMBL6202390

SCHEMBL6202390

CC(C)(CC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD11B1 P28845 1/20 0.44
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.43
SRD5A2 P31213 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C19 P33261 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL23728270 0.86 CYP2C19 (0.59) ALDH1A1POLBTDP1MAPK1MAPT
SCHEMBL2814636 0.85 TSHR (0.49) ALDH1A1POLBTDP1MAPK1HSD11B1
SCHEMBL6509357 0.83 ALDH1A1 (0.47) ALDH1A1POLBTDP1MAPK1MAPT
SCHEMBL428785 0.80 ALDH1A1 (0.49) ALDH1A1POLBTDP1MAPK1MAPT
SCHEMBL9010701 0.79 TDP1 (0.47) ALDH1A1POLBTDP1MAPK1MAPT
SCHEMBL396136 0.79 ALDH1A1 (0.49) ALDH1A1POLBTDP1MAPK1MAPT
SCHEMBL6223902 0.78 ALDH1A1 (0.54) ALDH1A1POLBMAPK1MAPTKDM4E
SCHEMBL8671378 0.78 ALDH1A1 (0.51) ALDH1A1POLBTDP1MAPK1MAPT
SCHEMBL10914051 0.77 CYP2C19 (0.50) ALDH1A1MAPTCYP2C19
SCHEMBL11637439 0.77 TDP1 (0.44) ALDH1A1POLBTDP1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP disclosed
EP-1140851-B1 4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2004-09-01 EP disclosed
CN-1132818-C 4-oxo-1, 4-dihydro-3-quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN CO. (US) 2003-12-31 CN disclosed
CN-1128790-C 4-hydroxyquinoline-3-carboxamides and hydrazides as antiviral agents UPJOHN CO (US) 2003-11-26 CN disclosed
CN-1332729-A 4-oxo-1,4-dihybro-3-quinolinecarboxamides as antiviral agents PHARMACIA & UP JOHN CO (US) 2002-01-23 CN disclosed
EP-1140851-A1 4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
US-6248736-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed
CN-1281439-A 4-hydroxyquinoline-3-carboxamide and hydrazide compounds as antiviral agents UPJOHN CO (US) 2001-01-24 CN disclosed
EP-0790998-B1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE URIACH & CIA SA J (ES) 2001-01-17 EP disclosed
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 EP disclosed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US disclosed
WO-2000040563-A1 4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed
EP-0738269-B1 PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY URIACH & CIA SA J (ES) 2000-04-26 EP disclosed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 WO disclosed
US-5747477-A INFLAMMATORY BOWEL DISEASE, GASTROINTESTINAL DISORDERS, CROHN*S DISEASE J. URIACH & CIA S.A. (ES) 1998-05-05 US disclosed
US-5705504-A PLATELET ACTIVATING FACTOR J. URIACH & CIA, S.A. (ES) 1998-01-06 US disclosed
EP-0790998-A1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE J. URIACH & CIA. S.A. (ES) 1997-08-27 EP disclosed
WO-1997009329-A1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE J. URIACH & CIA. S.A. (ES) 1997-03-13 WO disclosed
EP-0738269-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-10-23 EP disclosed
WO-1996014317-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-05-17 WO disclosed