SCHEMBL9681428

SCHEMBL9681428

CCOC(=O)CCCSc1nc2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.71
DRD2 P14416 11/20 0.61
TBXA2R P21731 11/20 0.61
L3MBTL1 Q9Y468 2/20 0.57
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54

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
SCHEMBL9699191 0.88 PTGDR2 (0.66) PTGDR2DRD2TBXA2RL3MBTL1
SCHEMBL9581575 0.87 TBXA2R (0.58) PTGDR2DRD2TBXA2R
SCHEMBL9682042 0.86 PTGDR2 (0.53) PTGDR2DRD2TBXA2RL3MBTL1
SCHEMBL9700228 0.85 ALDH1A1 (0.60) PTGDR2TBXA2R
SCHEMBL9683188 0.85 L3MBTL1 (0.74) PTGDR2DRD2TBXA2RL3MBTL1HDAC3
SCHEMBL9699174 0.84 PTGDR2 (0.55) PTGDR2DRD2TBXA2R
SCHEMBL9682472 0.84 TBXA2R (0.57) PTGDR2DRD2TBXA2R
SCHEMBL5109787 0.83 PTGDR2 (1.00) PTGDR2
SCHEMBL7035111 0.82 PTGDR2 (0.69) PTGDR2L3MBTL1
SCHEMBL7030671 0.81 PTGDR2 (0.67) PTGDR2L3MBTL1HDAC3HDAC4HDAC1

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
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed
US-5021443-A Noval benzimidazole and azabenzimiazole derivatives which are thromboxane receptor antagonists, their methods of preparation and pharmaceutical compositions in which they are present LABORATOIRES UPSA (FR) 1991-06-04 US disclosed