SCHEMBL17366155

SCHEMBL17366155

O=C1c2ccccc2C(c2ccc(F)cc2)N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
MDM2 Q00987 7/20 0.51
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL17366185 0.90 CYP2C9 (0.60) CYP2C9CYP2C19KMT2AMEN1MDM2
SCHEMBL17366148 0.89 CYP2C9 (0.57) CYP2C9CYP2C19KMT2AMEN1MDM2
SCHEMBL17366158 0.88 CYP2C9 (0.56) CYP2C9CYP2C19KMT2AMEN1MDM2
SCHEMBL17366169 0.84 MDM2 (0.58) MDM2MAPTCA12CA1CA9
SCHEMBL17366183 0.83 MDM2 (0.53) CYP2C9CYP2C19KMT2AMEN1MDM2
SCHEMBL17366182 0.83 MDM2 (0.56) CYP2C9CYP2C19KMT2AMEN1MDM2
SCHEMBL31667491 0.79 CYP2C9 (0.65) CYP2C9CYP2C19KMT2AMEN1MDM2
SCHEMBL17366195 0.77 CYP2C9 (0.52) CYP2C9CYP2C19KMT2AMEN1MDM2
SCHEMBL30121977 0.77 MDM2 (0.64) KMT2AMEN1MDM2MAPTCA12
SCHEMBL8274847 0.75 MEN1 (0.55) KMT2AMEN1MDM2MAPT

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