SCHEMBL5503497

SCHEMBL5503497

CCCCOc1ccc(OCCSc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.85
MAPT P10636 5/20 0.85
KMT2A Q03164 4/20 0.85
HTT P42858 4/20 0.85
MEN1 O00255 3/20 0.85
SMN1; SMN2 Q16637 2/20 0.85
HPGD P15428 1/20 0.85
AR P10275 8/20 0.81
NPC1 O15118 2/20 0.80
TP53 P04637 2/20 0.80
RAB9A P51151 2/20 0.72
GALR3 O60755 1/20 0.70
STAT3 P40763 1/20 0.70
ALDH1A1 P00352 2/20 0.63
BCHE P06276 1/20 0.61
NPSR1 Q6W5P4 2/20 0.60
TSHR P16473 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57

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
SCHEMBL18155143 0.89 AR (1.00) LMNAMAPTKMT2AHTTMEN1
SCHEMBL15501211 0.88 NPC1 (0.74) LMNAMAPTKMT2AHTTMEN1
SCHEMBL5114943 0.87 AR (1.00) LMNAMAPTKMT2AHTTMEN1
SCHEMBL425175 0.84 RAB9A (1.00) LMNAMAPTKMT2AHTTMEN1
SCHEMBL15329956 0.84 AR (0.74) LMNAMAPTKMT2AHTTMEN1
SCHEMBL2948524 0.83 RAB9A (0.91) LMNAMAPTKMT2AHTTMEN1
SCHEMBL9729274 0.82 NPC1 (0.88) LMNAMAPTKMT2AHTTMEN1
SCHEMBL21639229 0.82 NPC1 (0.88) LMNAMAPTKMT2AHTTMEN1
SCHEMBL11535096 0.82 NPC1 (0.88) LMNAMAPTKMT2AHTTMEN1
SCHEMBL8098342 0.81 RAB9A (0.82) LMNAMAPTKMT2AHTTMEN1

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 claimed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO claimed