SCHEMBL10781391

SCHEMBL10781391

CCCCC(CC)C(c1ccccc1)c1ccccc1.O=[N+]([O-])c1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.45
▸ PTPRF P10586 1/20 0.45
▸ PTPN2 P17706 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ CACNA1G O43497 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL10778745 0.85 KDM4E (0.47) CHRM2MEN1KMT2ALMNAALDH1A1
SCHEMBL10781389 0.77 MAPT (0.44) MEN1KMT2AALDH1A1KCNH2
SCHEMBL8086502 0.76 ALDH1A1 (0.49) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
Diethylamine SCHEMBL11106466 0.75 ALDH1A1 (0.50) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL1041853 0.75 MEN1 (0.69) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL3117616 0.72 CHRM2 (0.76) CHRM2PTPRFPTPN2PTPN1PTPN11
Phosphonic Acid SCHEMBL9264939 0.72 ALDH1A1 (0.47) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL28938785 0.72 LMNA (0.62) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL8096631 0.72 LMNA (0.45) LMNASMN1; SMN2ALDH1A1OPRM1OPRD1
SCHEMBL628651 0.71 CHRM2 (0.72) CHRM2PTPRFPTPN2PTPN1PTPN11

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-0115198-B1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTIVE ELEMENTS TOMOEGAWA PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-03-11 — — EP disclosed
US-4539282-A SENSITIZED ZINC OXIDE, POLYCARBONATE BINDER AND AROMATIC DIAMINE TOMOEGAWA PAPER MANUFACTURING COMPANY LIMITED (JP) 1985-09-03 — — US disclosed
EP-0115198-A1 Electrophotographic photoconductive elements TOMOEGAWA PAPER MANUFACTURING COMPANY LIMITED (JP) 1984-08-08 — — EP disclosed
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