SCHEMBL5268958

SCHEMBL5268958

O=C(Nc1c[nH]nc1C(=O)NCCc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.52
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 2/20 0.52
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MLYCD O95822 1/20 0.49
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALOX12 P18054 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL5266786 0.91 MEN1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC2
SCHEMBL5269246 0.90 MLYCD (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC2
SCHEMBL5268235 0.90 SMN1; SMN2 (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL5274230 0.87 HPGD (0.49) ALDH1A1HDAC2HDAC8HDAC6KMT2A
SCHEMBL5268542 0.87 TRPV1 (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5266006 0.86 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL5270190 0.86 LMNA (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC2
SCHEMBL4281575 0.86 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL13816928 0.85 RAB9A (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC2
SCHEMBL5274237 0.83 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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