SCHEMBL17366158

SCHEMBL17366158

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MDM2 Q00987 10/20 0.51
POLB P06746 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
P2RX4 Q99571 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN2A Q99250 1/20 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
SCHEMBL17366185 0.90 CYP2C9 (0.60) CYP2C9CYP2C19MEN1KMT2AMDM2
SCHEMBL17366148 0.89 CYP2C9 (0.57) CYP2C9CYP2C19MEN1KMT2AMDM2
SCHEMBL17366155 0.88 CYP2C9 (0.56) CYP2C9CYP2C19MEN1KMT2AMDM2
SCHEMBL12332978 0.83 MDM2 (0.53) CYP2C9CYP2C19MEN1KMT2AMDM2
SCHEMBL17366178 0.83 MDM2 (0.56) CYP2C9CYP2C19MEN1KMT2AMDM2
SCHEMBL31667491 0.79 CYP2C9 (0.65) CYP2C9CYP2C19MEN1KMT2AMDM2
SCHEMBL17366195 0.77 CYP2C9 (0.52) CYP2C9CYP2C19MEN1KMT2AMDM2
SCHEMBL30121977 0.77 MDM2 (0.64) MEN1KMT2AMDM2CA12CA1
SCHEMBL8274847 0.75 MEN1 (0.55) MEN1KMT2AMDM2GAA
SCHEMBL17366153 0.75 MDM2 (0.52) CYP2C9CYP2C19MEN1KMT2AMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2960233-B1 NEW THERAPEUTIC AGENTS CANCER RESEARCH TECH LTD (GB) 2019-10-30 EP disclosed
EP-2960233-A1 NEW THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2015-12-30 EP disclosed