SCHEMBL5268895

SCHEMBL5268895

O=C(Cc1ccc(-c2ccccc2)cc1)Nc1c[nH]nc1C(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HDAC1 Q13547 3/20 0.48
ROCK2 O75116 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
SRC P12931 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
PDE2A O00408 1/20 0.45
PIN1 Q13526 1/20 0.45
RORC P51449 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 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
SCHEMBL5270533 0.89 MEN1 (0.47) LMNAALDH1A1MEN1KMT2AROCK2
SCHEMBL5271648 0.86 KMT2A (0.54) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5269714 0.86 ROCK2 (0.54) HDAC1ROCK2TRPV1EPHX2NR1H4
SCHEMBL5265952 0.84 KMT2A (0.52) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5267185 0.82 POLB (0.48) LMNAALDH1A1MEN1KMT2AROCK2
SCHEMBL4279642 0.82 HDAC1 (0.50) LMNAKMT2AHDAC1ROCK2EPHX2
SCHEMBL5270571 0.81 KMT2A (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5268095 0.81 MAPT (0.53) LMNAALDH1A1MEN1KMT2A
SCHEMBL5268751 0.81 LMNA (0.53) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5274230 0.81 HPGD (0.49) ALDH1A1KMT2AHDAC1ROCK2HDAC3

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