SCHEMBL5266983

SCHEMBL5266983

O=C(c1n[nH]cc1NS(=O)(=O)c1ccc(F)cc1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
PKM P14618 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5267751 0.88 NPC1 (0.56) HPGDL3MBTL1GAAMAPTNPC1
SCHEMBL5271765 0.88 ALDH1A1 (0.48) RXFP1HPGDL3MBTL1PKMMAPT
SCHEMBL5274022 0.88 L3MBTL1 (0.46) RXFP1POLBL3MBTL1HTTGAA
SCHEMBL5271053 0.88 L3MBTL1 (0.51) RXFP1POLBHPGDL3MBTL1GAA
SCHEMBL5268091 0.86 LMNA (0.55) POLBHPGDL3MBTL1GAAMAPT
SCHEMBL5269971 0.86 L3MBTL1 (0.50) RXFP1POLBHPGDL3MBTL1HTT
SCHEMBL5265743 0.84 ALDH1A1 (0.53) POLBL3MBTL1HTTGAAMAPT
SCHEMBL5273212 0.82 ALDH1A1 (0.47) RXFP1POLBL3MBTL1HTTGAA
SCHEMBL5273232 0.79 L3MBTL1 (0.36) HPGDL3MBTL1NPC1RAB9A
SCHEMBL5268738 0.79 METAP2 (0.44) POLBHPGDL3MBTL1HTTGAA

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