SCHEMBL6601208

SCHEMBL6601208

CC(C)(C)c1csc(-c2cc3cc(Cn4c(-c5nnn[nH]5)cc5ccccc54)ccc3o2)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.35
ESR1 P03372 6/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6600548 0.80 TP53 (0.31)
SCHEMBL6601364 0.80 PGR (0.37) ALDH1A1POLBHSD17B10
SCHEMBL6598640 0.79 CCR2 (0.47) CCR2ALDH1A1POLBHSD17B10
SCHEMBL6602150 0.78 CCR2 (0.48) CCR2ALDH1A1POLBHSD17B10
SCHEMBL6597519 0.77
SCHEMBL6598791 0.77 KMT2A (0.49) ALDH1A1POLBHSD17B10PTGS2SMN1; SMN2
SCHEMBL6597036 0.77 CNR1 (0.33)
SCHEMBL6600027 0.75 PDE5A (0.34) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6600915 0.75 PDE5A (0.34) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6600909 0.74 PDE5A (0.34)

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