SCHEMBL9947722

SCHEMBL9947722

CCCn1c(C)c(C(=O)O)c(C)c(C#N)c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.48
USP2 O75604 1/20 0.48
MEN1 O00255 6/20 0.46
MAPT P10636 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
CASP1 P29466 1/20 0.46
HPGD P15428 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2031946 0.78 CNR2 (0.36) KDM4EUSP2MEN1MAPTKMT2A
SCHEMBL9947969 0.77 KDM4E (0.35) KDM4EUSP2MEN1MAPTKMT2A
SCHEMBL9947718 0.72 KDM4E (0.36) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL11839787 0.71 KDM4E (0.48) KDM4EUSP2MEN1MAPTKMT2A
SCHEMBL9947711 0.71 KDM4E (0.54) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL2834290 0.70 MEN1 (0.49) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL28801578 0.68 LMNA (0.47) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL9948011 0.68 CNR2 (0.36) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL9947700 0.68 CNR2 (0.36) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL2829434 0.68 CNR2 (0.44) KDM4EMEN1MAPTKMT2AALDH1A1

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-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 EP claimed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US claimed
EP-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 EP disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed