SCHEMBL4734820

SCHEMBL4734820

CCN(CC)c1nc(CNC(=O)c2ccc(F)cc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1L O00429 1/20 0.45
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCHE P06276 1/20 0.43
POLB P06746 1/20 0.43
MAPK14 Q16539 1/20 0.42
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42
MIF P14174 1/20 0.42
GRM1 Q13255 1/20 0.42

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
SCHEMBL4737991 0.89 KDM4E (0.43) KDM4ELMNAALDH1A1L3MBTL1CYP1A2
SCHEMBL3060142 0.86 ALDH1A1 (0.52) DNM1LKDM4EALDH1A1RAB9ANPC1
SCHEMBL3816465 0.84 MAPK14 (0.43) KDM4ELMNAALDH1A1L3MBTL1CYP1A2
SCHEMBL4734821 0.79 RAB9A (0.43) DNM1LKDM4EALDH1A1L3MBTL1CYP3A4
SCHEMBL4735282 0.78 BCHE (0.46) LMNAL3MBTL1HPGDHSD17B10BCHE
Hydrochloric Acid SCHEMBL4739571 0.77 BCHE (0.45) LMNAL3MBTL1HPGDHSD17B10BCHE
SCHEMBL3063987 0.74 GRIN1 (0.43) LMNAGRM1
SCHEMBL3824769 0.73 CFTR (0.55) DNM1LLMNAALDH1A1BCHEGRM1
SCHEMBL3069103 0.72 L3MBTL1 (0.52) LMNAL3MBTL1CYP3A4SMN1; SMN2MAPK14
SCHEMBL3816827 0.72 LMNA (0.63) KDM4ELMNAALDH1A1L3MBTL1CYP3A4

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed