SCHEMBL5273651

SCHEMBL5273651

O=C(Cc1c[nH]c2ccccc12)Nc1c[nH]nc1C(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.54
MAPT P10636 9/20 0.52
PAX8 Q06710 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
USP2 O75604 1/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
STAT3 P40763 2/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 3/20 0.49
PKM P14618 2/20 0.49
ALDH1A1 P00352 4/20 0.49
GLA P06280 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK5 Q00535 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 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
SCHEMBL2930131 0.84 MAPT (0.55) MAPTKMT2AMEN1STAT3RAB9A
SCHEMBL5265813 0.82 NPC1 (0.51) HRH3MAPTKMT2AMEN1RAB9A
SCHEMBL5272614 0.81 CYP1A2 (0.53) HRH3MAPTPAX8NPSR1USP2
SCHEMBL5270089 0.80 GAA (0.59) MAPTKMT2AMEN1HSD17B10LMNA
SCHEMBL5268260 0.80 MAPT (0.51) HRH3MAPTKMT2AMEN1STAT3
SCHEMBL5270583 0.80 RAB9A (0.51) MAPTKMT2AMEN1STAT3RAB9A
SCHEMBL5268751 0.79 LMNA (0.53) HRH3MAPTKMT2AMEN1STAT3
SCHEMBL5267757 0.78 KMT2A (0.47) KMT2AMEN1RAB9ALMNAPKM
SCHEMBL954893 0.77 ALDH1A1 (0.50) HRH3MAPTKMT2AMEN1STAT3
SCHEMBL5272564 0.76 NPY4R (0.57) MAPTNPSR1RAB9ALMNAALDH1A1

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