SCHEMBL8617401

SCHEMBL8617401

Nc1ncccc1CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.59
MAPK1 P28482 2/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CASP3 P42574 1/20 0.45
TSHR P16473 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 1/20 0.44
HTR1A P08908 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLS O94925 1/20 0.44

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 SCHEMBL8643649 0.98 HSD17B10 (0.57) HSD17B10MAPK1KMT2AMEN1NPC1
SCHEMBL27366803 0.79 HSD17B10 (0.56) HSD17B10MAPK1KMT2AMEN1NPC1
SCHEMBL24618268 0.78 HSD17B10 (0.55) HSD17B10MAPK1KMT2AMEN1NPC1
SCHEMBL30320210 0.78 HSD17B10 (0.55) HSD17B10MAPK1KMT2AMEN1NPC1
SCHEMBL3281437 0.74 HSD17B10 (1.00) HSD17B10MAPK1KMT2AMEN1RAB9A
SCHEMBL25056479 0.73 HSD17B10 (0.59) HSD17B10MAPK1KMT2AMEN1RAB9A
Iodide SCHEMBL8116687 0.72 HSD17B10 (0.51) HSD17B10KMT2AMEN1RAB9AMAPT
SCHEMBL8617871 0.72 HSD17B10 (0.51) HSD17B10MAPK1GAAALDH1A1KDM4E
SCHEMBL29018590 0.72 GAA (0.56) HSD17B10KMT2AMEN1NPC1RAB9A
SCHEMBL10488389 0.72 RAB9A (0.53) HSD17B10KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612729-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-04-23 EP claimed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 EP claimed
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