SCHEMBL5499298

SCHEMBL5499298

O=C(C(c1ccccc1)c1ccccc1)N(CCCSc1nc2ccccc2[nH]1)CCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.63
LMNA P02545 4/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.53
MAOB P27338 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 1/20 0.47
BCHE P06276 1/20 0.47
KDM4E B2RXH2 1/20 0.47
EPHX2 P34913 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL5111621 0.81 AR (0.61) ARLMNAMAPTALDH1A1MAOB
SCHEMBL5114340 0.80 AR (0.60) ARLMNAMAPTALDH1A1MAOB
SCHEMBL5504394 0.79 AR (0.58) ARLMNAMAPTALDH1A1MAOB
SCHEMBL5503332 0.76 AR (0.63) ARLMNAMAPTALDH1A1MAOB
SCHEMBL5503450 0.76 AR (0.63) ARLMNAMAPTALDH1A1MAOB
SCHEMBL5534689 0.74 AR (0.52) ARLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL5500813 0.73 AR (0.56) ARLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL5122394 0.72 PTGDR2 (0.46) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL10685902 0.72 LMNA (0.80) ARLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL5503614 0.72 AR (0.66) ARLMNAMAPTALDH1A1SMN1; SMN2

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