SCHEMBL4743199

SCHEMBL4743199

C[N+](C)(CCOc1ccc(Cl)cc1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.38
KCNH2 Q12809 2/20 0.37
CHRNA7 P36544 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 8/20 0.36
ADRA1A P35348 2/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
KMT2A Q03164 4/20 0.34
NPY2R P49146 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADRA1B P35368 1/20 0.33
CHRM3 P20309 1/20 0.33
ALOX12 P18054 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
SCHEMBL4742440 0.99 CYP19A1 (0.39) CYP19A1KCNH2CHRNA7LMNAMEN1
SCHEMBL4742446 0.99 CYP19A1 (0.39) CYP19A1KCNH2CHRNA7LMNAMEN1
SCHEMBL1109903 0.95 CYP19A1 (0.39) CYP19A1KCNH2CHRNA7LMNAMEN1
SCHEMBL1109901 0.95 CYP19A1 (0.39) CYP19A1KCNH2CHRNA7LMNAMEN1
Bromide SCHEMBL2876880 0.94 CYP19A1 (0.38) CYP19A1KCNH2CHRNA7LMNAMEN1
Bromide SCHEMBL2876877 0.94 CYP19A1 (0.38) CYP19A1KCNH2CHRNA7LMNAMEN1
SCHEMBL14101216 0.93 LMNA (0.39) CYP19A1KCNH2CHRNA7LMNAMEN1
SCHEMBL1109774 0.93 CHRNA7 (0.39) CYP19A1KCNH2CHRNA7LMNAADRA1A
SCHEMBL1109773 0.93 CHRNA7 (0.39) CYP19A1KCNH2CHRNA7LMNAADRA1A
SCHEMBL4744082 0.92 KCNH2 (0.38) CYP19A1KCNH2CHRNA7LMNAMEN1

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 3 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
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed