SCHEMBL9212484

SCHEMBL9212484

CC(OCCc1c(SC(C)(C)C)c2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Cl)cc1)C(=O)O.[NaH]

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 19/20 0.74
ALOX5 P09917 7/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2D6 P10635 1/20 0.74
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58

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
SCHEMBL2108566 0.99 ALOX5AP (0.75) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9212513 0.99 ALOX5AP (0.74) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9212493 0.93 ALOX5AP (0.76) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL2106826 0.89 ALOX5AP (0.78) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL2109526 0.88 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9216414 0.86 ALOX5AP (0.78) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL9306842 0.86 ALOX5AP (0.98) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL2108496 0.85 ALOX5AP (0.77) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL29372303 0.85 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL30505315 0.85 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419049-B1 (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC (CA) 1995-04-12 EP disclosed
US-5380850-A Quinoline hydrazine intermediates MERCK FROSST CANADA, INC. (CA) 1995-01-10 US disclosed
WO-1994013293-A2 (QUINOLIN-2-YLMETHOXY)INDOLES AS INHIBITORS OF THE BIOSYNTHESIS OF LEUKOTRIENES MERCK FROSST CANADA INC. (CA) 1994-06-23 WO disclosed
US-5272145-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-12-21 US disclosed
US-5204344-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed