SCHEMBL8315780

SCHEMBL8315780

COc1ccc2oc(C(N)=S)cc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.55
TAS1R1 Q7RTX1 7/20 0.55
CA2 P00918 3/20 0.53
APP P05067 3/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
HPGD P15428 2/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
CYP2A6 P11509 1/20 0.50
FLT3 P36888 1/20 0.49
BCAT1 P54687 1/20 0.48
RAD52 P43351 1/20 0.47

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
SCHEMBL31044605 0.87 TAS1R3 (0.55) TAS1R3TAS1R1CA2APPALDH1A1
SCHEMBL5806070 0.83 TAS1R3 (0.62) TAS1R3TAS1R1CA2APPALDH1A1
SCHEMBL31060243 0.81 FLT3 (0.71) TAS1R3TAS1R1CA2ALDH1A1KDM4E
SCHEMBL28328754 0.80 ALDH1A1 (0.64) CA2APPALDH1A1KDM4ECA12
SCHEMBL29527237 0.80 KDM4E (0.66) TAS1R3TAS1R1CA2ALDH1A1KDM4E
SCHEMBL335319 0.80 KDM4E (0.66) TAS1R3TAS1R1CA2ALDH1A1KDM4E
SCHEMBL1287553 0.80 KDM4E (0.66) TAS1R3TAS1R1CA2ALDH1A1KDM4E
SCHEMBL8253528 0.80 TAS1R3 (0.55) TAS1R3TAS1R1CA2APPALDH1A1
Hydrochloric Acid SCHEMBL11498190 0.79 KDM4E (0.64) TAS1R3TAS1R1CA2ALDH1A1KDM4E
SCHEMBL446971 0.79 TAS1R3 (0.64) TAS1R3TAS1R1CA2ALDH1A1KDM4E

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-0528337-B1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1999-10-20 EP disclosed
US-5296495-A Antiallergens, antiinflammatory FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
EP-0528337-A1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-24 EP disclosed