SCHEMBL900754

SCHEMBL900754

COCc1cc([N+](=O)[O-])ccc1CNc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
PTPRF P10586 1/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN11 Q06124 1/20 0.54
MAPT P10636 7/20 0.50
APP P05067 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
GAA P10253 3/20 0.44

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
SCHEMBL11317000 0.78 HTT (0.49) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL900753 0.78 MAPT (0.66) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL22624739 0.78 APP (0.65) MAOBPTPRFPTPN2PTPN1PTPN11
SCHEMBL6819384 0.78 PTPRF (0.59) MAOBPTPRFPTPN2PTPN1PTPN11
SCHEMBL8168049 0.76 CA12 (0.41) MAPTAPPMEN1KMT2AALDH1A1
SCHEMBL14259387 0.76 PTPRF (0.56) MAOBPTPRFPTPN2PTPN1PTPN11
SCHEMBL7238917 0.74 SMN1; SMN2 (0.53) MAOBPTPRFPTPN2PTPN1PTPN11
SCHEMBL23041348 0.73 KMT2A (0.54) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL29625925 0.73 KMT2A (0.54) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7338580 0.73 PTPRF (0.69) MAOBPTPRFPTPN2PTPN1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621885-A1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE The Procter and Gamble Company (US) 2013-08-07 EP disclosed
WO-2012044758-A1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed