SCHEMBL8048447

SCHEMBL8048447

CO[N+](=O)c1cc(C)c(NCCc2c[nH]c3ccccc23)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GPR84 Q9NQS5 1/20 0.46
ALOX12 P18054 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
KDM4E B2RXH2 1/20 0.44
DRD2 P14416 1/20 0.44
HTR7 P34969 1/20 0.44

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
SCHEMBL8041659 0.81 CDK2 (0.54) CDK2MEN1KMT2AMAPTHTT
SCHEMBL12810783 0.80 CDK2 (0.52) CDK2MEN1KMT2AHTTLMNA
SCHEMBL8044543 0.80 HTR2A (0.54) CDK2KMT2AMAPTHTTLMNA
SCHEMBL12811068 0.76 CDK2 (0.53) CDK2MEN1KMT2AMAPTHTT
SCHEMBL8042979 0.75 MAPT (0.53) CDK2MEN1KMT2AMAPTHTT
SCHEMBL26978669 0.74 CDK2 (0.72) CDK2NPC1RAB9A
SCHEMBL8265777 0.73 ALDH1A1 (0.69) CDK2MEN1KMT2AMAPTHTT
SCHEMBL18784064 0.71 KMT2A (0.59) CDK2MEN1KMT2AMAPTHTT
SCHEMBL18531442 0.71 ALDH1A1 (0.60) CDK2MEN1KMT2AMAPTHTT
SCHEMBL18531467 0.70 CDK2 (0.56) CDK2MEN1KMT2AMAPTHTT

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-2203440-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2011-03-23 EP disclosed
WO-2009037308-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-03-26 WO disclosed