SCHEMBL496465

SCHEMBL496465

CC(C)(C)N(C(=O)O)[C@@H]1CCCC[C@H]1Nc1cc(Cl)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
PTGES O14684 1/20 0.36
ATM Q13315 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
S1PR3 Q99500 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PPARG P37231 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
HPGD P15428 1/20 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
SCHEMBL495888 1.00 MEN1 (0.41) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL495955 0.87 MEN1 (0.33) MEN1KMT2AALDH1A1PGRNR3C2
SCHEMBL496358 0.85 CHEK1 (0.36) MEN1KMT2AALDH1A1ATMPGR
SCHEMBL495857 0.84 MEN1 (0.31) MEN1KMT2AALDH1A1
SCHEMBL496253 0.78 ALDH1A1 (0.42) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4367918 0.78 ALDH1A1 (0.42) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL496451 0.72 IRAK4 (0.39) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2709835 0.72 IRAK4 (0.39) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL14976231 0.71 JAK3 (0.42)
SCHEMBL14638383 0.71 AR (0.45) PGRNR3C2AR

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
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP disclosed