SCHEMBL4742433

SCHEMBL4742433

C[N+](C)(CCCOc1ccc(C#N)c(Cl)c1)Cc1cnc([C@](O)(c2ccccc2)C2CCCCC2)o1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 15/20 0.38
KMT2A Q03164 3/20 0.36
AR P10275 2/20 0.35
NPY2R P49146 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
SCHEMBL4742435 1.00 MEN1 (0.38) MEN1KMT2AARNPY2R
SCHEMBL523560 0.91 CYP19A1 (0.35) MEN1KMT2A
SCHEMBL523559 0.91 CYP19A1 (0.35) MEN1KMT2A
Bromide SCHEMBL1179774 0.90 CYP19A1 (0.35) MEN1KMT2A
Bromide SCHEMBL1179776 0.90 CYP19A1 (0.35) MEN1KMT2A
SCHEMBL4741472 0.90 KCNH2 (0.35) MEN1KMT2A
SCHEMBL4782438 0.88 MEN1 (0.38) MEN1KMT2AARNPY2R
SCHEMBL4743190 0.86 CYP19A1 (0.36) MEN1KMT2A
SCHEMBL4743192 0.86 CYP19A1 (0.36) MEN1KMT2A
SCHEMBL1109903 0.86 CYP19A1 (0.39) MEN1KMT2ANPY2R

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