SCHEMBL5269482

SCHEMBL5269482

COc1ccc(S(=O)(=O)Nc2c[nH]nc2C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SGMS1 Q86VZ5 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PLAAT3 P53816 2/20 0.48
PLAAT5 Q96KN8 2/20 0.48
PLAAT2 Q9NWW9 2/20 0.48
PLAAT4 Q9UL19 2/20 0.48
GAA P10253 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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 0.91 RAB9A (0.56) POLBALDH1A1RAB9ANPC1KMT2A
SCHEMBL5268461 0.90 RAB9A (0.54) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL5271844 0.90 ALDH1A1 (0.52) ALDH1A1SGMS1GAAMAPTSMN1; SMN2
SCHEMBL5272812 0.89 RAB9A (0.56) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL5265198 0.89 RAB9A (0.55) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL5266973 0.88 RAB9A (0.54) POLBALDH1A1RAB9ANPC1SGMS1
SCHEMBL5267412 0.88 RAB9A (0.54) ALDH1A1RAB9ANPC1SGMS1MEN1
SCHEMBL5267731 0.88 RAB9A (0.54) POLBALDH1A1RAB9ANPC1SGMS1
SCHEMBL5268726 0.86 KMT2A (0.57) POLBALDH1A1RAB9ANPC1CYP1A2
SCHEMBL5269255 0.86 RAB9A (0.51) POLBALDH1A1RAB9ANPC1MEN1

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