SCHEMBL5266576

SCHEMBL5266576

CS(=O)(=O)Nc1c[nH]nc1C(=O)NC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
PLA2G7 Q13093 6/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 3/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PTGS2 P35354 2/20 0.40
ATR Q13535 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL5265886 0.87 LMNA (0.45) LMNANPC1RAB9AKMT2ATSHR
SCHEMBL13816898 0.85 NPC1 (0.47) LMNANPC1RAB9AKMT2ATSHR
SCHEMBL5268756 0.83 LMNA (0.42) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5266716 0.83 LMNA (0.69) LMNANPC1RAB9AKMT2ATSHR
SCHEMBL5270560 0.83 LMNA (0.54) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5270600 0.82 LMNA (0.48) LMNAKMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL5268963 0.82 LMNA (0.46) LMNANPC1RAB9AKMT2ATSHR
SCHEMBL5269706 0.81 LMNA (0.55) LMNANPC1RAB9AKMT2ATSHR
SCHEMBL5272339 0.81 LMNA (0.54) LMNANPC1RAB9AKMT2AALDH1A1
SCHEMBL5271687 0.81 KCNA5 (0.56) LMNANPC1RAB9AKMT2AALDH1A1

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
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed