SCHEMBL6598142

SCHEMBL6598142

CC(C)(C)c1csc(-c2cc3cc(C(=O)CBr)ccc3o2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
GSK3B P49841 1/20 0.35
HPGD P15428 2/20 0.34
HDAC6 Q9UBN7 3/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6598130 0.86 NPC1 (0.37) KDM4ESMN1; SMN2MAPTGAAMAPK1
SCHEMBL6598772 0.86 TP53 (0.45) PTPN1KDM4ESMN1; SMN2MAPTGAA
Hydrochloric Acid SCHEMBL6598785 0.84 NPC1 (0.37) KDM4ESMN1; SMN2MAPTGAAMAPK1
SCHEMBL6600670 0.83 TP53 (0.47) KDM4ESMN1; SMN2MAPTGAAMAPK1
SCHEMBL6599211 0.81 APP (0.35) KDM4ESMN1; SMN2MAPTGAAMAPK1
SCHEMBL8311225 0.79 CYP26A1 (0.42) SMN1; SMN2MAPTMAPK1NPC1MEN1
SCHEMBL6600736 0.78 ESR1 (0.48) KDM4ESMN1; SMN2GAANPC1MEN1
SCHEMBL2477688 0.78 MEN1 (0.35) KDM4ESMN1; SMN2MAPTGAAMAPK1
SCHEMBL8310276 0.78 CHRM2 (0.41) MAPTNPC1MEN1KMT2APOLB
SCHEMBL3385454 0.77 CYP26A1 (0.39) PTPN1KDM4ESMN1; SMN2MAPTMAPK1

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 6 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-0880519-B1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-17 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
EP-0880519-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-02 EP disclosed
WO-1997027190-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 WO disclosed