SCHEMBL8808441

SCHEMBL8808441

COc1nc(C)cc(SC)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MAPT P10636 7/20 0.37
LMNA P02545 5/20 0.36
HTT P42858 4/20 0.36
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR4 O95977 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4829348 0.83 S1PR4 (0.39) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL8808836 0.79 LMNA (0.46) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL5267218 0.79 MAPT (0.41) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL18031283 0.78 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL30622635 0.78 LMNA (0.40) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL4829285 0.78 MAPT (0.38) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL7220392 0.76 ALDH1A1 (0.45) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL7220292 0.74 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL8814038 0.72 LMNA (0.43) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL9121830 0.70 ALDH1A1 (0.45) ALDH1A1MAPTLMNAHTTKMT2A

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed