SCHEMBL5169554

SCHEMBL5169554

C=C(CN(C)Cc1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
PYCR1 P32322 1/20 0.47
TMEM97 Q5BJF2 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
LMNA P02545 5/20 0.43
RAB9A P51151 4/20 0.43
HTT P42858 3/20 0.43
NPC1 O15118 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KCNH2 Q12809 1/20 0.43
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
OPRM1 P35372 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
SCHEMBL5166710 0.87 SIGMAR1 (0.45) TMEM97SIGMAR1LMNAKCNH2EPHX2
SCHEMBL5167787 0.86 MAPT (0.52) MAPTALDH1A1PYCR1TMEM97SIGMAR1
SCHEMBL5166525 0.86 ALDH1A1 (0.46) MAPTALDH1A1PYCR1TMEM97SIGMAR1
SCHEMBL5166068 0.82 NR1H4 (0.51) TMEM97SIGMAR1EPHX2NR1H4
SCHEMBL5167223 0.82 ESRRG (0.49) TMEM97SIGMAR1LMNAKCNH2EPHX2
SCHEMBL5165638 0.82 NPC1 (0.45) MAPTPYCR1TMEM97SIGMAR1LMNA
SCHEMBL5165543 0.80 MAOA (0.50) MAPTTMEM97SIGMAR1LMNARAB9A
Hydrochloric Acid SCHEMBL5168719 0.79 MAOA (0.51) TMEM97SIGMAR1LMNARAB9AKCNH2
SCHEMBL5166162 0.79 NPSR1 (0.47) MAPTALDH1A1TMEM97SIGMAR1LMNA
SCHEMBL5167523 0.78 EPHX2 (0.51) TMEM97SIGMAR1LMNAKCNH2PDK2

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