SCHEMBL7008783

SCHEMBL7008783

Cc1ccc(-c2ccccc2C#N)c(C)c1COS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ESR2 Q92731 1/20 0.34
KDM5A P29375 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HTT P42858 1/20 0.33
NR3C1 P04150 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GALR3 O60755 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
FFAR1 O14842 2/20 0.31
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31
AKR1B1 P15121 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
SCHEMBL7007628 0.76 ESR2 (0.44) TSHRESR2KDM5AALDH1A1KDM4E
SCHEMBL8872917 0.73 ESR2 (0.51) ESR2FFAR1AKR1B1
SCHEMBL7013243 0.72 TSHR (0.32) TSHRESR2KDM5A
SCHEMBL7013560 0.69 BDKRB2 (0.50) HTTKDM4E
SCHEMBL2209611 0.69 SLC22A12 (0.37) TSHRALDH1A1NR3C1KDM4EGAA
SCHEMBL23910080 0.68 TSHR (0.47) TSHRESR2KDM5AALDH1A1KDM4E
SCHEMBL17610646 0.68 CA2 (0.37) TSHRALDH1A1KDM4EHPGDFFAR1
SCHEMBL2186556 0.67 TSHR (0.52) TSHRESR2ALDH1A1KDM4EGALR3
SCHEMBL23625536 0.66 TSHR (0.52) TSHRESR2ALDH1A1KDM4EGALR3
SCHEMBL18300377 0.65 EPAS1 (0.34)

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-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed