SCHEMBL5506263

SCHEMBL5506263

O=C(O)N(CCCCl)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
PAX8 Q06710 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL21628078 0.86 REN (0.56) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL4207867 0.83 HDAC1 (0.57) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL1753870 0.81 HDAC6 (0.58) RENLMNA
SCHEMBL2584582 0.81 LIMK2 (0.56) RENMEN1KMT2ATDP1
SCHEMBL671194 0.81 REN (0.55) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL17791668 0.80 LMNA (0.55) RENMEN1KMT2ALMNANPC1
SCHEMBL5122254 0.80 HDAC3 (0.51) RENLMNANPC1ALDH1A1TSHR
SCHEMBL11208970 0.80 REN (0.50) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL16333819 0.80 REN (0.54) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL13723381 0.80 REN (0.54) RENMEN1KMT2ALMNAALDH1A1

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