SCHEMBL8951306

SCHEMBL8951306

COC(=O)c1ccc(Cn2cnc3ccc(N)cc32)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.49
BRD4 O60885 1/20 0.46
PPARG P37231 1/20 0.44
FLT3 P36888 2/20 0.43
HDAC1 Q13547 2/20 0.42
KDR P35968 1/20 0.41
MAPT P10636 3/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
POLB P06746 1/20 0.40
FGFR1 P11362 2/20 0.40
CNR1 P21554 1/20 0.40
QPCT Q16769 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL8951523 0.84 BRD4 (0.44) TLR7BRD4PPARGFLT3HDAC1
SCHEMBL8951203 0.81 TLR7 (0.44) TLR7HDAC1MAPTGAAPKM
SCHEMBL8998115 0.81 EPHX2 (0.55) TLR7PPARGHDAC1MAPTPOLB
SCHEMBL8951280 0.79 RAB9A (0.52) TLR7FLT3HDAC1KDRMAPT
SCHEMBL8908639 0.78 TLR7 (0.48) TLR7PPARGHDAC1MAPTGAA
SCHEMBL8951100 0.78 CYSLTR2 (0.53) FLT3MAPT
SCHEMBL8951287 0.78 CYSLTR2 (0.52) PPARGFLT3MAPTPOLBCNR1
SCHEMBL9301804 0.77 SMN1; SMN2 (0.50) PPARGHDAC1MAPTGAAPKM
SCHEMBL2105382 0.77 CYSLTR2 (0.46) TLR7MAPTGAAPKMHDAC2
SCHEMBL8951313 0.77 MEN1 (0.51) PPARGFLT3HDAC1KDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583152-A Use of N-(4-(5-(cyclopentyloxycarbonyl)amino-1-methylindol-3-ylmethyl)-3 -methoxybenzoyl)-2-methyl-benzenesulphonamide, zafirlukast; allergic asthma, inflammatory diseases, endotoxic conditions or traumatic shock ZENECA INC. (US) 1996-12-10 US disclosed
US-5440035-A Leukotriene antagonists; antiallergens, antiinflammatory agents ZENECA INC. (GB) 1995-08-08 US disclosed
US-5391758-A Leukotriene antagonists ZENECA, INC. (US) 1995-02-21 US disclosed
US-5338734-A Leukotriene antagonist properties; antiinflammatory agents ZENECA INC. (US) 1994-08-16 US disclosed
US-5179112-A Leukotriene antagonist as antiallergens and antiinflammatory agents ICI AMERICAS INC. (US) 1993-01-12 US disclosed
EP-0199543-B1 HETEROCYCLIC AMIDE DERIVATIVES ICI AMERICAS INC. (US) 1991-12-04 EP disclosed
US-5030643-A Antiallergens, antiinflammatory agents ICI AMERICAS INC. (US) 1991-07-09 US disclosed
US-4859692-A Heterocyclic amide derivatives and pharmaceutical use ICI AMERICAS INC. (US) 1989-08-22 US disclosed
EP-0199543-A2 Heterocyclic amide derivatives ICI AMERICAS INC. (US) 1986-10-29 EP disclosed