SCHEMBL14048780

SCHEMBL14048780

CNc1ccc(-c2ccc3c(C)c(Cc4cccc([N+](=O)[O-])c4)c(=O)oc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.61
MAOB P27338 3/20 0.52
KDM4E B2RXH2 6/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GLA P06280 1/20 0.47
HSD17B3 P37058 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
ALDH1A1 P00352 6/20 0.42
ALDH1A2 O94788 1/20 0.42
ALDH1B1 P30837 1/20 0.42
ALDH1A3 P47895 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
STS P08842 1/20 0.42
RAF1 P04049 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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
Dimethylamine SCHEMBL960928 0.91 MAP2K1 (0.61) MAP2K1MAOBKDM4EGAANPSR1
SCHEMBL13391484 0.91 MAP2K1 (0.64) MAP2K1MAOBKDM4EGAANPSR1
SCHEMBL959717 0.88 MAP2K1 (0.61) MAP2K1MAOBKDM4EGAANPSR1
SCHEMBL960927 0.87 MAP2K1 (0.65) MAP2K1MAOBKDM4EGAANPSR1
SCHEMBL960467 0.87 MAP2K1 (0.64) MAP2K1MAOBKDM4EGAANPSR1
SCHEMBL962407 0.84 MAP2K1 (0.58) MAP2K1MAOBKDM4EGAANPSR1
SCHEMBL962155 0.84 MAP2K1 (0.63) MAP2K1MAOBKDM4EGAANPSR1
SCHEMBL959672 0.83 MAP2K1 (0.66) MAP2K1MAOBKDM4EGAANPSR1
SCHEMBL962919 0.83 MAP2K1 (0.66) MAP2K1MAOBKDM4EGAANPSR1
SCHEMBL960967 0.83 KDM4E (0.69) MAP2K1MAOBKDM4EGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1982982-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-10-22 EP disclosed