SCHEMBL17366177

SCHEMBL17366177

COc1cccc2c1C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
MDM2 Q00987 8/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 2/20 0.40
ABCC1 P33527 1/20 0.40
APP P05067 2/20 0.40
SNCA P37840 2/20 0.40

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
SCHEMBL17366153 0.86 MDM2 (0.52) MEN1KMT2AMDM2CYP2C9CYP2C19
SCHEMBL17366148 0.81 CYP2C9 (0.57) MEN1KMT2AMDM2CYP2C9CYP2C19
SCHEMBL17366184 0.79 MDM2 (0.46) MEN1KMT2AMDM2CYP2C9CYP2C19
SCHEMBL17366164 0.77 MDM2 (0.53) MEN1KMT2AMDM2CYP2C9CYP2C19
SCHEMBL17366183 0.77 MDM2 (0.53) MEN1KMT2AMDM2CYP2C9CYP2C19
SCHEMBL17366182 0.75 MDM2 (0.56) MEN1KMT2AMDM2CYP2C9CYP2C19
SCHEMBL12332978 0.75 MDM2 (0.53) MEN1KMT2AMDM2CYP2C9CYP2C19
SCHEMBL17366176 0.75 MDM2 (0.53) MEN1KMT2AMDM2CYP2C9CYP2C19
SCHEMBL17366163 0.75 MDM2 (0.56) MEN1KMT2AMDM2CYP2C9CYP2C19
SCHEMBL17366165 0.75 MDM2 (0.55) MEN1KMT2AMDM2CYP2C9CYP2C19

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-2960233-A1 NEW THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2015-12-30 EP disclosed