SCHEMBL5266880

SCHEMBL5266880

O=C(Nc1ccccc1)c1n[nH]cc1NC(=O)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.59
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
RXFP1 Q9HBX9 11/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
CETP P11597 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
GRM4 Q14833 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
SCHEMBL955574 0.88 CCNA2 (0.62) HPGDRXFP1SMN1; SMN2GAAHDAC3
SCHEMBL5269651 0.84 HPGD (0.52) HPGDSMN1; SMN2CETPHDAC3HDAC1
SCHEMBL2799869 0.83 HPGD (0.46) HPGDSMN1; SMN2GAACETPHDAC3
SCHEMBL5265757 0.82 SMN1; SMN2 (0.46) HPGDSMN1; SMN2GAACETPHDAC3
SCHEMBL5269109 0.82 SMN1; SMN2 (0.53) SMN1; SMN2GAA
SCHEMBL5267787 0.81 NPC1 (0.44) HPGDSMN1; SMN2GAACETPHDAC3
SCHEMBL5268520 0.81 ALDH1A1 (0.47) HPGDRXFP1SMN1; SMN2GAACETP
SCHEMBL5272055 0.81 EPHX2 (0.60) SMN1; SMN2
SCHEMBL4292756 0.80 NPC1 (0.44) HPGDSMN1; SMN2CETPHDAC3HDAC1
SCHEMBL15528295 0.79 RXFP1 (0.75) HPGDRXFP1

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