SCHEMBL6286235

SCHEMBL6286235

c1ccc(N=Nc2ccc(Cc3cscn3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
SLC6A3 Q01959 6/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PPARG P37231 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 1/20 0.35
GPR142 Q7Z601 1/20 0.35
SLC22A2 O15244 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL6286238 0.80 SLC6A3 (0.38) SLC6A3ALDH1A1MEN1KMT2ARAB9A
SCHEMBL38661320 0.72 ALDH1A1 (0.60) LTA4HALDH1A1MEN1KMT2ARAB9A
SCHEMBL7493474 0.72 SLC6A4 (0.41) LTA4HSLC6A3ALDH1A1MEN1KMT2A
SCHEMBL16640685 0.70 CALM1 (0.63) LTA4HALDH1A1MEN1KMT2ARAB9A
SCHEMBL13278246 0.66 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL13278248 0.66 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL2239365 0.65 ALDH1A1 (0.92) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL90893 0.65 ALDH1A1 (0.92) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL21024214 0.65 ALDH1A1 (0.92) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL21023910 0.65 ALDH1A1 (0.92) ALDH1A1MEN1KMT2ARAB9ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951918-B2 Peptidic procollagen C-proteinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-10-04 US disclosed