SCHEMBL5266973

SCHEMBL5266973

O=C(NCCc1ccccc1)c1n[nH]cc1NS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 2/20 0.54
POLB P06746 3/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
SGMS1 Q86VZ5 1/20 0.48
MCL1 Q07820 1/20 0.47
BCL2A1 Q16548 1/20 0.47
CCKAR P32238 1/20 0.47
CCKBR P32239 1/20 0.47
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43

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
SCHEMBL5269177 0.92 RAB9A (0.56) RAB9ANPC1POLBMCL1BCL2A1
SCHEMBL5265198 0.91 RAB9A (0.55) RAB9ANPC1POLBMCL1BCL2A1
SCHEMBL5267731 0.90 RAB9A (0.54) RAB9ANPC1POLBSGMS1ALDH1A1
SCHEMBL5267412 0.90 RAB9A (0.54) RAB9ANPC1SGMS1CCKARCCKBR
SCHEMBL5268461 0.90 RAB9A (0.54) RAB9ANPC1POLBALDH1A1MAPT
SCHEMBL5267563 0.89 KCNA5 (0.49) NPC1SGMS1MCL1BCL2A1ALDH1A1
SCHEMBL5272812 0.89 RAB9A (0.56) RAB9ANPC1POLBALDH1A1SMN1; SMN2
SCHEMBL5269482 0.88 POLB (0.54) RAB9ANPC1POLBSGMS1ALDH1A1
SCHEMBL5267718 0.87 RAB9A (0.52) RAB9ANPC1POLBMCL1BCL2A1
SCHEMBL5268726 0.86 KMT2A (0.57) RAB9ANPC1POLBALDH1A1SMN1; 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 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