SCHEMBL4741477

SCHEMBL4741477

C[N+](C)(CCOCc1ccccc1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
CHRM2 P08172 6/20 0.36
CHRM1 P11229 6/20 0.36
KCNH2 Q12809 5/20 0.36
CYP2D6 P10635 3/20 0.36
SLC6A3 Q01959 4/20 0.36
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM3 P20309 5/20 0.34
TSHR P16473 3/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
APAF1 O14727 3/20 0.34
USP2 O75604 3/20 0.34
TP53 P04637 3/20 0.34
MAPT P10636 3/20 0.34
RAD52 P43351 3/20 0.34

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
SCHEMBL4783504 0.87 LMNA (0.39) LMNACHRM2CHRM1KCNH2CYP2D6
SCHEMBL4741476 0.84 KCNH2 (0.40) LMNACHRM2CHRM1KCNH2CYP2D6
SCHEMBL4739872 0.83 KCNH2 (0.39) LMNACHRM2CHRM1KCNH2CYP2D6
SCHEMBL14101291 0.82 ACHE (0.38) CHRM2CHRM1ALDH1A1CHRM3CHRM4
SCHEMBL4783528 0.82 LMNA (0.37) LMNACHRM2CHRM1KCNH2CYP2D6
SCHEMBL1109891 0.81 CHRM2 (0.37) LMNACHRM2CHRM1KCNH2CYP2D6
SCHEMBL1109893 0.81 CHRM2 (0.37) LMNACHRM2CHRM1KCNH2CYP2D6
Bromide SCHEMBL2877676 0.80 CHRM2 (0.36) LMNACHRM2CHRM1KCNH2CYP2D6
Bromide SCHEMBL2877682 0.80 CHRM2 (0.36) LMNACHRM2CHRM1KCNH2CYP2D6
SCHEMBL4739912 0.80 LMNA (0.35) LMNACHRM2CHRM1KCNH2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO claimed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed