SCHEMBL4741480

SCHEMBL4741480

C[N+](C)(CCOCCc1ccc(Cl)cc1)Cc1cnc(C(O)(c2ccccc2)C2CCCCC2)o1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.37
CHRM2 P08172 7/20 0.34
CHRM1 P11229 7/20 0.34
KCNH2 Q12809 2/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 1/20 0.34
HRH1 P35367 4/20 0.32
CHRM3 P20309 6/20 0.32
CHRM4 P08173 5/20 0.32
CHRM5 P08912 5/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4741478 1.00 CYP19A1 (0.37) CYP19A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL4743216 0.94 CHRM2 (0.36) CYP19A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL524177 0.94 CHRM2 (0.36) CYP19A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL524178 0.94 CHRM2 (0.36) CYP19A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL4743343 0.94 CHRM2 (0.36) CYP19A1CHRM2CHRM1KCNH2SLC6A3
Bromide SCHEMBL1109913 0.93 CHRM2 (0.36) CYP19A1CHRM2CHRM1KCNH2SLC6A3
Bromide SCHEMBL1109911 0.93 CHRM2 (0.36) CYP19A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL4742397 0.93 LMNA (0.36) CYP19A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL435135 0.92 CYP19A1 (0.37) CYP19A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL4743400 0.92 CHRM2 (0.36) CYP19A1CHRM2CHRM1KCNH2SLC6A3

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