SCHEMBL8617871

SCHEMBL8617871

CC(C)(C)C(=O)Nc1ncccc1CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 2/20 0.47
RXFP1 Q9HBX9 2/20 0.46
GRM5 P41594 1/20 0.45
GAA P10253 3/20 0.43
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
HCRTR1 O43613 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40

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
Hydrochloric Acid SCHEMBL8616721 0.99 HSD17B10 (0.50) HSD17B10KDM4ERXFP1GRM5GAA
SCHEMBL8615599 0.80 MAPK1 (0.51) HSD17B10KDM4EGRM5GAAALDH1A1
SCHEMBL12844413 0.78 GRM5 (0.46) HSD17B10KDM4EGRM5ALDH1A1L3MBTL1
SCHEMBL17520240 0.78 ALDH1A1 (0.46) HSD17B10KDM4EALDH1A1L3MBTL1CYP1A2
SCHEMBL12775799 0.75 ALDH1A1 (0.44) HSD17B10KDM4EGAAALDH1A1L3MBTL1
SCHEMBL29048375 0.75 L3MBTL1 (0.44) HSD17B10KDM4EALDH1A1L3MBTL1CYP1A2
SCHEMBL13274135 0.74 KDM4E (0.50) HSD17B10KDM4EALDH1A1L3MBTL1CYP1A2
SCHEMBL29048376 0.73 ALDH1A1 (0.41) HSD17B10KDM4EALDH1A1L3MBTL1CYP1A2
SCHEMBL8617401 0.72 HSD17B10 (0.59) HSD17B10KDM4EGAAALDH1A1CYP1A2
SCHEMBL24618268 0.72 HSD17B10 (0.55) HSD17B10KDM4ERXFP1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed
EP-0612729-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-04-23 EP disclosed
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 EP disclosed