SCHEMBL30433

SCHEMBL30433

CCCCNCCc1c(C)nn(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 4/20 0.38
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TTR P02766 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALPL P05186 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL23978357 0.84 ALDH1A1 (0.41) MAPTPOLBLMNATP53ALDH1A1
SCHEMBL12844283 0.78 SMN1; SMN2 (0.42) MAPTPOLBLMNATP53ALDH1A1
SCHEMBL17788487 0.72 MAPT (0.40) MAPTPOLBLMNATP53ALDH1A1
SCHEMBL6760580 0.69 SMN1; SMN2 (0.44) LMNATP53ALDH1A1SMN1; SMN2GAA
SCHEMBL13100036 0.69 RAB9A (0.42) LMNATP53ALDH1A1SMN1; SMN2GAA
SCHEMBL10864189 0.69 RAB9A (0.43) MAPTPOLBLMNATP53ALDH1A1
SCHEMBL3320936 0.68 SMN1; SMN2 (0.41) MAPTPOLBLMNATP53ALDH1A1
SCHEMBL22459222 0.66 NR2F2 (0.50) MAPTPOLBLMNATP53ALDH1A1
SCHEMBL23400598 0.66 HPGD (0.38) MAPTPOLBLMNATP53ALDH1A1
SCHEMBL12650452 0.66 TTR (0.41) MAPTPOLBLMNATP53ALDH1A1

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-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed