SCHEMBL5269031

SCHEMBL5269031

O=C(Nc1c[nH]nc1C(=O)NCc1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
MAPK14 Q16539 9/20 0.58
HTT P42858 3/20 0.58
MMP13 P45452 3/20 0.58
LMNA P02545 2/20 0.58
CYP3A4 P08684 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
EPHX2 P34913 1/20 0.48
MAPK8 P45983 1/20 0.47
HDAC1 Q13547 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR1 O14842 1/20 0.46
MMP2 P08253 1/20 0.46
STAT3 P40763 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL5274230 0.91 HPGD (0.49) HPGDHDAC1KMT2AALDH1A1
SCHEMBL5270246 0.90 NPC1 (0.57) HPGDHTTSMN1; SMN2HDAC1ALDH1A1
SCHEMBL5266786 0.89 MEN1 (0.54) HPGDLMNASMN1; SMN2HDAC1KMT2A
SCHEMBL5269714 0.88 ROCK2 (0.54) HPGDMMP13EPHX2HDAC1
SCHEMBL5270473 0.87 MAPK14 (0.53) HPGDMAPK14SMN1; SMN2PPARGPPARA
SCHEMBL5320217 0.85 MAPK14 (0.55) HPGDMAPK14LMNAPPARGPPARA
SCHEMBL5270730 0.85 HPGD (0.69) HPGDHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL5271587 0.83 HPGD (0.51) HPGDHTTMMP13SMN1; SMN2HDAC1
SCHEMBL5271746 0.81 ALDH1A1 (0.50) HPGDHTTHDAC1KMT2AMMP2
SCHEMBL5270571 0.81 KMT2A (0.59) HPGDHTTSMN1; SMN2KMT2AALDH1A1

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