SCHEMBL5166525

SCHEMBL5166525

C=C(CN(C)Cc1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 2/20 0.44
PYCR1 P32322 1/20 0.43
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL6247130 0.88 ALDH1A1 (0.50) ALDH1A1RAB9AMAPTLMNANPC1
SCHEMBL5169554 0.86 MAPT (0.48) ALDH1A1RAB9AMAPTLMNANPC1
SCHEMBL5168636 0.81 SIGMAR1 (0.43) MAPTLMNAKMT2AMEN1ACHE
SCHEMBL5169208 0.80 SMN1; SMN2 (0.47) LMNAKMT2AMEN1SMN1; SMN2ACHE
SCHEMBL5167768 0.80 SIGMAR1 (0.42) MAPTLMNAKMT2AMEN1ACHE
SCHEMBL5167094 0.80 MAOA (0.51) MAPTLMNAKMT2AMEN1ACHE
SCHEMBL5165543 0.79 MAOA (0.50) RAB9AMAPTLMNAKMT2AMEN1
SCHEMBL5166587 0.78 MAOA (0.53) RAB9AMAPTLMNANPC1KMT2A
Hydrochloric Acid SCHEMBL5168719 0.78 MAOA (0.51) RAB9ALMNAKMT2AMEN1SMN1; SMN2
SCHEMBL5166710 0.78 SIGMAR1 (0.45) LMNAACHETP53CYP2D6TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1561744-B1 AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT POLA CHEM IND INC (JP) 2007-04-18 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 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-B1 AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT POLA CHEM IND INC (JP) 2007-04-18 EP disclosed
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