SCHEMBL6637010

SCHEMBL6637010

Nc1cc(Cl)nc(SCc2cc(Cl)cc(Cl)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
HSP90AA1 P07900 1/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.39
SCN9A Q15858 1/20 0.38
MAPK1 P28482 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6641831 0.87 MEN1 (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL490003 0.84 MEN1 (0.59) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6638709 0.84 MEN1 (0.58) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL489860 0.82 RAB9A (0.78) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8134625 0.81 MEN1 (0.55) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL490002 0.80 MEN1 (0.61) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6637758 0.80 RAB9A (0.79) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6642168 0.80 MEN1 (0.60) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6639114 0.79 RAB9A (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6639242 0.77 MEN1 (0.57) MEN1KMT2ARAB9ANPC1SMN1; 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-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP disclosed
EP-1247804-A1 Pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2002-10-09 EP disclosed