SCHEMBL6248136

SCHEMBL6248136

CN(CC(=O)c1ccc(Br)cc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
LSS P48449 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC3 O15379 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
EPHX2 P34913 1/20 0.43
ESRRG P62508 1/20 0.42
HDAC11 Q96DB2 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5166698 0.93 SIGMAR1 (0.51) TMEM97SIGMAR1MAPTNPC1RAB9A
SCHEMBL6249120 0.87 MAPT (0.60) TMEM97SIGMAR1MEN1KMT2AMAPT
SCHEMBL6249114 0.87 NR1H4 (0.54) TMEM97SIGMAR1MAPTNPC1RAB9A
SCHEMBL5182136 0.86 MEN1 (0.55) TMEM97SIGMAR1MEN1KMT2AMAPT
SCHEMBL6249909 0.86 MAPT (0.52) TMEM97SIGMAR1MEN1KMT2AMAPT
SCHEMBL5170362 0.86 SIGMAR1 (0.54) TMEM97SIGMAR1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL5166526 0.84 SIGMAR1 (0.53) TMEM97SIGMAR1MEN1KMT2AMAPT
SCHEMBL5166535 0.84 SMN1; SMN2 (0.53) TMEM97SIGMAR1MEN1KMT2ALMNA
SCHEMBL5167706 0.83 EPHX2 (0.57) TMEM97SIGMAR1MEN1KMT2AMAPT
SCHEMBL10432123 0.82 TMEM97 (0.58) TMEM97SIGMAR1LSSMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1561744-A2 AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT POLA CHEMICAL INDUSTRIES INC. (JP) 2005-08-10 EP claimed
US-6329399-B1 Antifungal amine derivatives and processing for producing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-12-11 US claimed
EP-1020426-A1 AMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-07-19 EP claimed
EP-1561744-A2 AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT POLA CHEMICAL INDUSTRIES INC. (JP) 2005-08-10 EP disclosed
US-6329399-B1 Antifungal amine derivatives and processing for producing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-12-11 US disclosed
EP-1020426-A1 AMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-07-19 EP disclosed