SCHEMBL13573271

SCHEMBL13573271

C[N+](C)(CCCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.98
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CHRM4 P08173 1/20 0.41
SCNN1A P37088 11/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
Bromide SCHEMBL1428047 0.99 KCNH2 (0.98) KCNH2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11959362 0.99 KCNH2 (1.00) KCNH2HDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL1428944 0.98 KCNH2 (1.00) KCNH2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11959350 0.97 KCNH2 (0.95) KCNH2HDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL1428373 0.96 KCNH2 (0.95) KCNH2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11959332 0.95 KCNH2 (0.92) KCNH2CHRM4SCNN1AKDM4ENPC1
SCHEMBL13573266 0.93 KCNH2 (0.85) KCNH2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11959364 0.92 KCNH2 (0.87) KCNH2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13573304 0.92 KCNH2 (0.82) KCNH2SCNN1AKDM4ENPC1ALDH1A1
SCHEMBL11959374 0.91 KCNH2 (0.84) KCNH2SCNN1AKDM4ENPC1ALDH1A1

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-2009150137-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 WO disclosed