SCHEMBL5190972

SCHEMBL5190972

NC(=O)c1cc(-c2cccs2)nc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.74
ALDH1A1 P00352 8/20 0.74
GAA P10253 7/20 0.74
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
MAPT P10636 5/20 0.62
TP53 P04637 3/20 0.62
HPGD P15428 7/20 0.60
LMNA P02545 2/20 0.60
ATM Q13315 1/20 0.60
RXFP1 Q9HBX9 3/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 1/20 0.58
PAX8 Q06710 1/20 0.58
KLK7 P49862 1/20 0.58
GLA P06280 2/20 0.57
PRNP P04156 1/20 0.57
PPARG P37231 1/20 0.57

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
SCHEMBL4461418 0.89 KDM4E (0.74) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL30064775 0.89 KDM4E (0.74) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13312183 0.86 MEN1 (0.74) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL23722824 0.85 KDM4E (1.00) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL23722906 0.80 KDM4E (0.77) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL17308323 0.80 MEN1 (0.80) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL379807 0.79 LMNA (0.76) KDM4EMEN1KMT2ALMNARXFP1
SCHEMBL29586433 0.79 LMNA (0.76) KDM4EMEN1KMT2ALMNARXFP1
SCHEMBL10612809 0.78 KDM4E (0.59) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL23722902 0.78 KDM4E (0.72) KDM4EALDH1A1GAAMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812398-A1 COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE SmithKline Beecham Corporation (US) 2007-08-01 EP claimed
WO-2006050992-A1 COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO claimed
EP-1812398-A1 COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE SmithKline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006050992-A1 COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed