SCHEMBL6598485

SCHEMBL6598485

CC(C)(C)c1csc(-c2cc3cc(C(=O)n4cc(C(=O)OCc5ccccc5)c5ccccc54)ccc3o2)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 10/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
BLM P54132 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CREBBP Q92793 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
SCHEMBL6599969 0.88 SMN1; SMN2 (0.37) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6599836 0.83 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL6602677 0.81 ELANE (0.33) ALDH1A1MAPTKMT2AMEN1
SCHEMBL6603445 0.78 CPT1A (0.38) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL6600889 0.77 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6598772 0.72 TP53 (0.45) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6600670 0.72 TP53 (0.47) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6603070 0.71 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL6599202 0.71 STAT3 (0.42) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6598130 0.71 NPC1 (0.37) ALDH1A1MAPTKMT2AKDM4EMEN1

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-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
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