SCHEMBL7595387

SCHEMBL7595387

N#CC(C#N)=CC1=CC[CH]C=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
MEN1 O00255 7/20 0.39
ALDH1A1 P00352 7/20 0.39
MAPT P10636 7/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
POLB P06746 1/20 0.39
EGFR P00533 4/20 0.38
THRB P10828 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP3A4 P08684 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 3/20 0.33
NFKB1 P19838 3/20 0.33
BLM P54132 3/20 0.33
PMP22 Q01453 3/20 0.33
TP53 P04637 2/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL5574136 0.66
SCHEMBL1649634 0.65
SCHEMBL7760013 0.65 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL21784422 0.60 KDM4E (0.31) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL9644200 0.59 GABRA1 (0.33)
SCHEMBL17466932 0.57 MAPT (1.00) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL8609619 0.56 EGFR (1.00) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL6210959 0.55
SCHEMBL20824922 0.54 KMT2A (0.80) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL15081489 0.53 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257265-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-11-20 EP claimed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO claimed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO claimed
EP-1257265-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-11-20 EP disclosed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO disclosed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO disclosed