SCHEMBL8615599

SCHEMBL8615599

CC(C)(C)C(=O)Nc1ncccc1SCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
GRM5 P41594 6/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CETP P11597 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 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
SCHEMBL8617871 0.80 HSD17B10 (0.51) MAPK1GRM5KDM4EGAANPSR1
Hydrochloric Acid SCHEMBL8616721 0.79 HSD17B10 (0.50) MAPK1GRM5KDM4EGAANPSR1
SCHEMBL8136438 0.76 L3MBTL1 (0.49) GRM5KDM4ENPSR1CETPALDH1A1
SCHEMBL27172031 0.74 L3MBTL1 (0.47) KDM4ENPSR1CETPALDH1A1L3MBTL1
SCHEMBL30068395 0.74 L3MBTL1 (0.47) KDM4ENPSR1CETPALDH1A1L3MBTL1
SCHEMBL16211834 0.72 L3MBTL1 (0.48) KDM4ECETPALDH1A1L3MBTL1RAB9A
SCHEMBL2624480 0.71 CETP (0.43) KDM4ECETPALDH1A1L3MBTL1RAB9A
SCHEMBL17903602 0.69 PKM (0.39) KDM4EGAACETPALDH1A1HSD17B10
SCHEMBL26054502 0.69 L3MBTL1 (0.49) KDM4EGAAALDH1A1HSD17B10L3MBTL1
SCHEMBL17520240 0.69 ALDH1A1 (0.46) KDM4ECETPALDH1A1HSD17B10L3MBTL1

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