SCHEMBL5202695

SCHEMBL5202695

O=[C]c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.62
VCAM1 P19320 1/20 0.56
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 2/20 0.50
PDE7A Q13946 7/20 0.46
TDP1 Q9NUW8 2/20 0.46
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE7B Q9NP56 1/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
GPR35 Q9HC97 1/20 0.42
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41

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
SCHEMBL4638007 0.85 VCAM1 (0.71) HSD17B10VCAM1ALDH1A1KMT2APDE7A
SCHEMBL2477528 0.83 VCAM1 (0.74) HSD17B10VCAM1ALDH1A1KMT2APDE7A
SCHEMBL26215261 0.83 HSD17B10 (0.60) HSD17B10VCAM1ALDH1A1KMT2APDE7A
SCHEMBL5962192 0.82 VCAM1 (0.52) HSD17B10VCAM1ALDH1A1TDP1TSHR
SCHEMBL1795352 0.78 TDP1 (0.57) HSD17B10VCAM1ALDH1A1KMT2ATDP1
SCHEMBL15557574 0.78 HSD17B10 (0.53) HSD17B10VCAM1ALDH1A1KMT2APDE7A
SCHEMBL85918 0.77 HSD17B10 (1.00) HSD17B10VCAM1ALDH1A1KMT2APDE7A
SCHEMBL29360183 0.77 HSD17B10 (1.00) HSD17B10VCAM1ALDH1A1KMT2APDE7A
SCHEMBL5187586 0.77 GPR35 (0.58) HSD17B10VCAM1ALDH1A1KMT2ATDP1
SCHEMBL28774866 0.77 CYP3A4 (0.56) HSD17B10VCAM1ALDH1A1KMT2ATDP1

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
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 US claimed
US-6262269-B1 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries TREGA BIOSCIENCES, INC. 2001-07-17 US claimed
US-6143895-A TETRAHYDROQUINOLINONE COMPOUND TREGA BIOSCIENCES, INC. (US) 2000-11-07 US claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 EP claimed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO claimed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO claimed
CN-117136055-A Composition for preventing or treating degenerative neurological diseases comprising compound inducing expression of anti-aging gene klotho 克洛索科学公司 2023-11-28 CN disclosed
EP-2497475-A1 Treatment of laminitis with platelet aggregation inhibitors Dussler, Sabine (DE) 2012-09-12 EP disclosed
CN-101379044-B Heterobicyclic sulfonamide derivatives for the treatment of diabetes HOFFMANN LA ROCHE 2012-04-11 CN disclosed
CN-101379044-A Heterobicyclic sulfonamide derivatives for the treatment of diabetes HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
EP-0113151-B1 PRINTING MEDIUM AND USE THEREOF International Business Machines Corporation (US) 1988-03-09 EP disclosed
EP-0113151-A2 Printing medium and use thereof International Business Machines Corporation (US) 1984-07-11 EP disclosed
US-4443302-A Printing medium and use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1984-04-17 US disclosed
US-4332724-A OXIDATION IN PRESENCE OF COBALT CATALYST AMERICAN CYANAMID CO. (US) 1982-06-01 US disclosed
US-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed