SCHEMBL6639637

SCHEMBL6639637

Nc1cc(O)nc(SCc2cccc(F)c2)n1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.81
NPC1 O15118 3/20 0.81
SMN1; SMN2 Q16637 2/20 0.55
MGAM O43451 3/20 0.52
GAA P10253 3/20 0.52
SI P14410 3/20 0.52
MGAM2 Q2M2H8 3/20 0.52
DCK P27707 3/20 0.49
CTSB P07858 1/20 0.49
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CXCR2 P25025 1/20 0.46
DAO P14920 1/20 0.44

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
SCHEMBL16920970 0.90 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MGAMGAA
SCHEMBL1520770 0.84 RAB9A (0.78) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL6639098 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MGAMGAA
SCHEMBL6641196 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2GAATP53
SCHEMBL1520700 0.83 RAB9A (0.81) RAB9ANPC1SMN1; SMN2MGAMGAA
SCHEMBL6640347 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2GAALMNA
SCHEMBL6354561 0.83 MEN1 (0.56) RAB9ANPC1SMN1; SMN2CTSBMAPT
SCHEMBL6642566 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL489638 0.82 MEN1 (0.54) RAB9ANPC1SMN1; SMN2DCKTP53
SCHEMBL8139592 0.81 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MGAMGAA

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