SCHEMBL9700200

SCHEMBL9700200

CCOC(=O)CC(C)(C)Cc1nc2ccc(Cl)nc2n1Cc1ccc(SC)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 18/20 0.56
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL9700050 0.88 TBXA2R (0.71) TBXA2R
SCHEMBL9681545 0.85 TBXA2R (0.55) TBXA2R
SCHEMBL9681839 0.83 TBXA2R (0.78) TBXA2R
SCHEMBL9682478 0.80 TBXA2R (0.78) TBXA2R
SCHEMBL9700273 0.77 TBXA2R (0.77) TBXA2RALDH1A1ATM
SCHEMBL9683033 0.75 TBXA2R (0.54) TBXA2R
SCHEMBL9682945 0.75 TBXA2R (0.62) TBXA2R
SCHEMBL9683131 0.74 TBXA2R (0.76) TBXA2RALDH1A1
SCHEMBL9699144 0.74 TBXA2R (0.76) TBXA2R
SCHEMBL9683313 0.73 TBXA2R (0.64) TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed