SCHEMBL6259291

SCHEMBL6259291

Cc1cc(NCc2ccc([N+](=O)[O-])cc2)ccc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.57
PTPN2 P17706 1/20 0.57
PTPN1 P18031 1/20 0.57
PTPN11 Q06124 1/20 0.57
ALDH1A1 P00352 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP3A4 P08684 2/20 0.57
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GHSR Q92847 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CRHBP P24387 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
Hydrochloric Acid SCHEMBL2993896 0.99 PTPRF (0.56) PTPRFPTPN2PTPN1PTPN11ALDH1A1
SCHEMBL531299 0.88 PTPRF (0.60) PTPRFPTPN2PTPN1PTPN11ALDH1A1
SCHEMBL5713738 0.82 PTPRF (0.56) PTPRFPTPN2PTPN1PTPN11ALDH1A1
SCHEMBL7560149 0.82 MAPT (0.51) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL4953680 0.81 PTPRF (0.83) PTPRFPTPN2PTPN1PTPN11ALDH1A1
SCHEMBL27565507 0.80 PTPRF (0.71) PTPRFPTPN2PTPN1PTPN11ALDH1A1
SCHEMBL6255547 0.80 PTPRF (0.71) PTPRFPTPN2PTPN1PTPN11ALDH1A1
SCHEMBL14950713 0.80 PTPRF (0.71) PTPRFPTPN2PTPN1PTPN11ALDH1A1
SCHEMBL20129851 0.80 TSHR (0.59) PTPRFPTPN2PTPN1PTPN11ALDH1A1
Hydrochloric Acid SCHEMBL2981058 0.79 PTPRF (0.69) PTPRFPTPN2PTPN1PTPN11ALDH1A1

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-1226107-B1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AG (DE) 2005-10-05 EP disclosed
EP-1226107-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2002-07-31 EP disclosed
WO-2002018318-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-07 WO disclosed