SCHEMBL5266503

SCHEMBL5266503

O=C(Cc1ccc(-c2ccccc2)cc1)Nc1c[nH]nc1C(=O)NC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 3/20 0.61
CDK2 P24941 2/20 0.51
CCNE1 P24864 1/20 0.51
CDK9 P50750 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
CCNA2 P20248 1/20 0.50
CCNA1 P78396 1/20 0.50
EPHX2 P34913 2/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
EPHX1 P07099 1/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
KCNJ6 P48051 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44

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
SCHEMBL5269702 0.83 EPHX2 (0.49) MEN1KMT2AALDH1A1EPHX2SMN1; SMN2
SCHEMBL5265952 0.83 KMT2A (0.52) MEN1KMT2AALDH1A1CDK2CCNE1
SCHEMBL5271648 0.82 KMT2A (0.54) MEN1KMT2AALDH1A1CDK2CCNE1
SCHEMBL5269233 0.82 KMT2A (0.51) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL5270533 0.81 MEN1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2ROCK2
SCHEMBL5268895 0.81 LMNA (0.56) MEN1KMT2AALDH1A1EPHX2SMN1; SMN2
SCHEMBL5269272 0.80 KDM4E (0.55) MEN1KMT2AALDH1A1CDK2CCNA2
SCHEMBL5268228 0.80 GAA (0.54) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL5270583 0.79 RAB9A (0.51) MEN1KMT2AALDH1A1CDK2CCNE1
SCHEMBL5267757 0.79 KMT2A (0.47) MEN1KMT2AALDH1A1CDK2CCNE1

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