SCHEMBL8063649

SCHEMBL8063649

Cc1cc(N=O)ccc1NCCc1c[nH]c2c(C)cccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SOS2 Q07890 1/20 0.41
NR3C1 P04150 2/20 0.40
PCSK9 Q8NBP7 1/20 0.39
CDK2 P24941 6/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ADRB3 P13945 1/20 0.38
PTGS1 P23219 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8066751 0.84 HTR2A (0.55) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL8048114 0.82 HTR2A (0.59) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL12811112 0.81 HTR2A (0.51) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL8065759 0.81 HTR2A (0.51) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL8043018 0.80 MAPT (0.64) HTR2AMAPTSMN1; SMN2NPSR1CDK2
SCHEMBL18784114 0.78 HTR2A (0.56) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL8044595 0.76 HTR2A (0.53) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL18783078 0.75 HTR2A (0.56) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL16420390 0.74 HTR2A (0.47) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL8042979 0.73 MAPT (0.53) HTR2AMAPTSMN1; SMN2NPSR1SOS2

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
WO-2009019274-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-02-12 WO disclosed