SCHEMBL6598524

SCHEMBL6598524

Cc1ccccc1S(=O)(=O)NC(=O)COc1ccc2c(c1)c(-c1nnn[nH]1)cn2Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 1/20 0.35
THRA P10827 4/20 0.34
THRB P10828 4/20 0.34
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6599527 0.88 THRA (0.42) THRATHRBMAPTALDH1A1HPGD
SCHEMBL6599610 0.86 THRA (0.34) THRATHRBALDH1A1HPGD
SCHEMBL6607505 0.84 THRA (0.32) THRATHRB
SCHEMBL7467717 0.80
SCHEMBL6597519 0.78
SCHEMBL5809194 0.75 THRA (0.41) THRATHRB
SCHEMBL6599724 0.74
SCHEMBL8624729 0.74 THRA (0.46) THRATHRB
SCHEMBL5811087 0.74 THRA (0.40) THRATHRBMAPTALDH1A1HPGD
SCHEMBL6598709 0.73 THRA (0.44) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1170009-B1 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2004-04-07 EP disclosed
EP-1170009-A2 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-09 EP disclosed
US-5994378-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed