SCHEMBL6598772

SCHEMBL6598772

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
CSNK2A1 P68400 1/20 0.40
TBXAS1 P24557 1/20 0.40
PTPRF P10586 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
NPC1 O15118 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
CYP19A1 P11511 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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 0.90 NPC1 (0.37) TP53NPC1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL6598785 0.88 NPC1 (0.37) TP53NPC1MEN1KMT2AKDM4E
SCHEMBL6600670 0.87 TP53 (0.47) TP53NPC1MEN1KMT2AKDM4E
SCHEMBL6598142 0.86 PTPN1 (0.37) TP53PTPN1NPC1MEN1KMT2A
SCHEMBL6599211 0.84 APP (0.35) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL6600736 0.82 ESR1 (0.48) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL2477688 0.82 MEN1 (0.35) CSNK2A1NPC1MEN1KMT2AKDM4E
SCHEMBL8316881 0.81 MRGPRX4 (0.52) TP53RAB9ASMN1; SMN2
SCHEMBL3385454 0.81 CYP26A1 (0.39) CSNK2A1PTPRFPTPN2PTPN1NPC1
SCHEMBL6598801 0.81 CYP26B1 (0.58) PTPRFPTPN2PTPN1MEN1KMT2A

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