SCHEMBL8193397

SCHEMBL8193397

CN(C)c1ccc(CN(C(=O)c2cn(Cc3ccccc3)nn2)c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
CACNA1G O43497 3/20 0.43
CACNA1H O95180 3/20 0.43
CACNA1I Q9P0X4 3/20 0.43
HSP90AB1 P08238 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 2/20 0.42
CDC7 O00311 1/20 0.42
DAPK3 O43293 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CLK2 P49760 1/20 0.42
CDK7 P50613 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
SCHEMBL8185813 0.90 CNR2 (0.48) ALDH1A1LMNAHSP90AB1MEN1KMT2A
SCHEMBL8191026 0.83 ALDH1A1 (0.43) ALDH1A1LMNACACNA1HHSP90AB1MEN1
SCHEMBL8192162 0.83 TGM2 (0.40) ALDH1A1LMNAHSP90AB1MEN1KMT2A
SCHEMBL8198730 0.82 HSP90AB1 (0.43) ALDH1A1LMNAHSP90AB1MEN1KMT2A
SCHEMBL8193111 0.81 LMNA (0.41) ALDH1A1LMNAHSP90AB1MEN1KMT2A
SCHEMBL4737953 0.81 AURKA (0.42) ALDH1A1LMNAMEN1KMT2AUSP2
SCHEMBL8188625 0.80 LMNA (0.40) ALDH1A1LMNAHSP90AB1MEN1KMT2A
SCHEMBL4735205 0.79 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2AUSP2
SCHEMBL8188226 0.76 DNM1L (0.42) ALDH1A1LMNAMEN1KMT2AUSP2
SCHEMBL8193350 0.76 HRH4 (0.40) ALDH1A1LMNAMEN1KMT2AUSP2

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 disclosed