SCHEMBL5815540

SCHEMBL5815540

COc1ccc(N2C=Cc3cc(-c4ccc(F)cc4)nc(C)c3C2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
SLC10A2 Q12908 1/20 0.40
MCHR1 Q99705 1/20 0.37
HTR7 P34969 1/20 0.37
FYN P06241 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FUBP1 Q96AE4 1/20 0.36
PTGS2 P35354 1/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 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
SCHEMBL5817989 0.83 NPC1 (0.34) KDM4ERAB9AMAPK1MEN1KMT2A
SCHEMBL5813978 0.83 KDM4E (0.38) KDM4ERAB9AMAPK1MCHR1HTR7
SCHEMBL5816497 0.81 PSD (0.39) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL5820441 0.75 ALDH1A1 (0.34) ALDH1A1PTGS2
SCHEMBL4747261 0.69 EGFR (0.46) KDM4ERAB9AMAPK1SLC10A2MCHR1
SCHEMBL28127189 0.67 TUBB1 (0.38) RAB9AMAPK1MEN1KMT2AMAPT
SCHEMBL5814749 0.65 ADORA2A (0.35) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL5818904 0.65 ALDH1A1 (0.37) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL5821178 0.65 HIF1A (0.39) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL28127427 0.62 HSD17B3 (0.35) MEN1KMT2A

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
WO-2006112666-A1 PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2006-10-26 WO disclosed