SCHEMBL8302074

SCHEMBL8302074

Clc1ccccc1C#CCBr

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
PTGDR2 Q9Y5Y4 6/20 0.41
GRM5 P41594 2/20 0.41
FFAR1 O14842 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
PNMT P11086 1/20 0.32
IDO1 P14902 1/20 0.32
IKBKB O14920 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL30780880 0.80 PTGDR2 (0.46) KCNH2PTGDR2GRM5FFAR1TSHR
SCHEMBL3351674 0.80 PTGDR2 (0.46) KCNH2PTGDR2GRM5FFAR1TSHR
SCHEMBL11237484 0.78 KCNH2 (0.48) KCNH2PTGDR2GRM5FFAR1TSHR
SCHEMBL4448140 0.78 KCNH2 (0.61) KCNH2PTGDR2GRM5FFAR1TSHR
SCHEMBL30707788 0.78 KCNH2 (0.61) KCNH2PTGDR2GRM5FFAR1TSHR
SCHEMBL28365711 0.77 KCNH2 (0.50) KCNH2PTGDR2GRM5FFAR1TSHR
SCHEMBL8305078 0.76 FFAR1 (0.40) FFAR1IDO1ALDH1A1
SCHEMBL18917798 0.75 ALDH1A1 (0.47) KCNH2PTGDR2GRM5FFAR1TSHR
SCHEMBL30740911 0.75 KCNH2 (0.46) KCNH2PTGDR2GRM5FFAR1TSHR
SCHEMBL4333048 0.75 TP53 (0.39) PTGDR2TSHRIDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749430-B1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PROD (US) 1999-08-25 EP disclosed
US-5605918-A SUBSTITUTED THIAZOLIDINE-2,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-25 US disclosed
US-5574051-A HYPOGLYCEMIC AMERICAN HOME PRODUCTS CORPORATION (US) 1996-11-12 US disclosed
WO-1995024400-A1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-09-14 WO disclosed
EP-0351194-B1 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity ICI PLC (GB) 1994-06-15 EP disclosed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 EP disclosed