SCHEMBL5500813

SCHEMBL5500813

CC(C)(C)OC(=O)N(CCCSc1nc2ccccc2[nH]1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
BCHE P06276 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL5114340 0.91 AR (0.60) ARALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5534689 0.84 AR (0.52) ARALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5506178 0.84 ALDH1A1 (0.57) ARALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5504394 0.76 AR (0.58) ARALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5121162 0.76 PTGDR2 (0.64) KMT2APOLB
SCHEMBL8915903 0.75 RAB9A (0.46) ARALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5736847 0.75 HDAC3 (0.51) LMNASMN1; SMN2MAPTNPC1MAPK1
SCHEMBL5737640 0.75 HDAC1 (0.54) LMNA
SCHEMBL5111621 0.74 AR (0.61) ARALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL8525848 0.74 HDAC3 (0.56) LMNA

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