SCHEMBL6286238

SCHEMBL6286238

c1ccc(N=Nc2ccccc2Cc2cscn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.38
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
SLC6A2 P23975 3/20 0.33
MAPK1 P28482 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
CYP3A4 P08684 2/20 0.33
HBB P68871 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 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
SCHEMBL6286235 0.80 LTA4H (0.44) SLC6A3ALDH1A1MEN1KMT2ASLC6A2
SCHEMBL29100459 0.72 ALDH1A1 (0.48) SLC6A3ALDH1A1MEN1KMT2ASLC6A2
SCHEMBL30539482 0.72 ALDH1A1 (0.48) SLC6A3ALDH1A1MEN1KMT2ASLC6A2
SCHEMBL11065012 0.71 MAPT (0.45) SLC6A3SLC6A2TDP1CYP3A4CYP1A2
SCHEMBL24815612 0.67 ALDH1A1 (0.50) SLC6A3ALDH1A1MEN1KMT2ASLC6A2
SCHEMBL17923161 0.67 ALDH1A1 (0.50) SLC6A3ALDH1A1MEN1KMT2ASLC6A2
SCHEMBL21524964 0.67 ALDH1A1 (0.50) SLC6A3ALDH1A1MEN1KMT2ASLC6A2
SCHEMBL28187761 0.67 ALDH1A1 (0.50) SLC6A3ALDH1A1MEN1KMT2ASLC6A2
SCHEMBL17923160 0.67 ALDH1A1 (0.50) SLC6A3ALDH1A1MEN1KMT2ASLC6A2
SCHEMBL15261382 0.67 ALDH1A1 (0.50) SLC6A3ALDH1A1MEN1KMT2ASLC6A2

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