SCHEMBL8966740

SCHEMBL8966740

CCCCCCCCCCCCN(CCCSc1ccncc1)C(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.43
THRA P10827 1/20 0.43
PKM P14618 1/20 0.39
FAAH O00519 5/20 0.37
CES1 P23141 4/20 0.37
CES2 O00748 2/20 0.37
PLA2G6 O60733 1/20 0.37
MAPT P10636 1/20 0.37
NAAA Q02083 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8614877 0.80 ALDH1A1 (0.44) MAPT
SCHEMBL8966758 0.80 CYP2C19 (0.43) CES1MAPT
Hydrochloric Acid SCHEMBL8966480 0.79 CYP2C19 (0.42) CES1MAPT
SCHEMBL8966793 0.77 HDAC1 (0.37) MAPT
SCHEMBL29411335 0.77 FAAH (0.50) FAAHCES1CES2PLA2G6
Hydrochloric Acid SCHEMBL8794670 0.76 POLB (0.39) MAPT
Hydrochloric Acid SCHEMBL8966715 0.76 L3MBTL1 (0.38) MAPT
SCHEMBL9742985 0.75 GPR84 (0.46) THRBTHRAMAPTNAAA
SCHEMBL9743357 0.75 GPR84 (0.46) THRBTHRAMAPTNAAA
SCHEMBL8391590 0.72 THRB (0.49) THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
EP-0522606-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-03 EP 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