SCHEMBL5504376

SCHEMBL5504376

CCCCOC(=O)N(CCCSc1nc2ccccc2[nH]1)CC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.48
LMNA P02545 5/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
AR P10275 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5504394 0.82 AR (0.58) RAB9ANPC1ALDH1A1LMNANPSR1
SCHEMBL5112079 0.78 PTGDR2 (0.59) POLBKMT2AMEN1
SCHEMBL15501211 0.71 NPC1 (0.74) RAB9ANPC1ALDH1A1LMNAPOLB
SCHEMBL425175 0.71 RAB9A (1.00) RAB9ANPC1ALDH1A1LMNAPOLB
SCHEMBL5112277 0.70 F2 (0.37) ALDH1A1
SCHEMBL5111621 0.70 AR (0.61) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL14230112 0.70 CYP1A2 (0.41)
SCHEMBL2948524 0.70 RAB9A (0.91) RAB9ANPC1ALDH1A1LMNAPOLB
SCHEMBL11535096 0.69 NPC1 (0.88) RAB9ANPC1ALDH1A1LMNAPOLB
SCHEMBL21639229 0.69 NPC1 (0.88) RAB9ANPC1ALDH1A1LMNAPOLB

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