SCHEMBL5499447

SCHEMBL5499447

Cc1cccc2[nH]c(SCCOc3ccc(Cl)cc3)nc12

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.67
LMNA P02545 6/20 0.54
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
HTT P42858 3/20 0.54
HPGD P15428 3/20 0.54
NPC1 O15118 4/20 0.52
TP53 P04637 4/20 0.52
ALDH1A1 P00352 5/20 0.51
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 1/20 0.51
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5114943 0.80 AR (1.00) ARLMNAMAPTSMN1; SMN2KMT2A
SCHEMBL5112521 0.76 AR (0.70) ARLMNAMAPTSMN1; SMN2KMT2A
SCHEMBL5112528 0.76 AR (0.70) ARLMNAMAPTSMN1; SMN2KMT2A
SCHEMBL7689804 0.76 RAB9A (0.63) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL5503497 0.70 LMNA (0.85) ARLMNAMAPTSMN1; SMN2KMT2A
SCHEMBL18155143 0.69 AR (1.00) ARLMNAMAPTSMN1; SMN2KMT2A
SCHEMBL22640100 0.68 KDM4E (0.77) ARLMNAMAPTSMN1; SMN2KMT2A
SCHEMBL374823 0.68 ALDH1A1 (0.59) ALDH1A1TDP1MGAMGAASI
SCHEMBL12195163 0.68 ALDH1A1 (0.71) MAPTSMN1; SMN2KMT2AMEN1HTT
SCHEMBL11687629 0.68 CYP1A2 (0.65) ARLMNAMAPTSMN1; SMN2HPGD

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