SCHEMBL5500790

SCHEMBL5500790

O=C(O)Cn1c(SCc2ccc(Cl)cc2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 1.00
TBXA2R P21731 4/20 0.73
DRD2 P14416 3/20 0.73
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
HDAC3 O15379 1/20 0.66
HDAC4 P56524 1/20 0.66
HDAC1 Q13547 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66

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
SCHEMBL5120452 0.91 PTGDR2 (1.00) PTGDR2
SCHEMBL5107201 0.81 PTGDR2 (1.00) PTGDR2MEN1KMT2A
SCHEMBL11887749 0.80 PTGDR2 (0.75) PTGDR2MEN1KMT2A
SCHEMBL5107724 0.80 PTGDR2 (1.00) PTGDR2
SCHEMBL5118599 0.79 PTGDR2 (0.76) PTGDR2MEN1KMT2A
SCHEMBL5112266 0.78 PTGDR2 (1.00) PTGDR2
SCHEMBL9683188 0.78 L3MBTL1 (0.74) PTGDR2TBXA2RDRD2MEN1KMT2A
SCHEMBL5114577 0.78 PTGDR2 (0.64) PTGDR2TBXA2RDRD2HDAC3HDAC4
SCHEMBL5116168 0.77 HPGD (1.00) PTGDR2KMT2A
SCHEMBL15685953 0.77 PTGDR2 (0.73) PTGDR2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed