SCHEMBL4783600

SCHEMBL4783600

COc1ccc(COCC[N+](C)(C)Cc2cnc([C@](O)(c3ccccc3)C3CCCCC3)o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CHRM3 P20309 9/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
NPY2R P49146 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 2/20 0.34
CYP2J2 P51589 1/20 0.34
APAF1 O14727 1/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
USP2 O75604 1/20 0.33
ABCB11 O95342 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 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
SCHEMBL4783605 1.00 CYP19A1 (0.42) CYP19A1CHRM3MEN1KMT2ALMNA
SCHEMBL1109891 0.94 CHRM2 (0.37) CYP19A1CHRM3MEN1KMT2ALMNA
SCHEMBL1109893 0.94 CHRM2 (0.37) CYP19A1CHRM3MEN1KMT2ALMNA
Bromide SCHEMBL2877676 0.93 CHRM2 (0.36) CYP19A1CHRM3MEN1KMT2ALMNA
Bromide SCHEMBL2877682 0.93 CHRM2 (0.36) CYP19A1CHRM3MEN1KMT2ALMNA
SCHEMBL4783528 0.93 LMNA (0.37) CYP19A1CHRM3MEN1KMT2ALMNA
SCHEMBL4743392 0.93 LMNA (0.35) CYP19A1CHRM3MEN1KMT2ALMNA
SCHEMBL4801959 0.93 LMNA (0.35) CYP19A1CHRM3MEN1KMT2ALMNA
SCHEMBL4743395 0.93 LMNA (0.35) CYP19A1CHRM3MEN1KMT2ALMNA
SCHEMBL4801950 0.93 LMNA (0.35) CYP19A1CHRM3MEN1KMT2ALMNA

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