SCHEMBL10078178

SCHEMBL10078178

CN(C)c1ccc(CNCc2ccco2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
ATM Q13315 1/20 0.58
MAPT P10636 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GFER P55789 1/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
CHRM2 P08172 1/20 0.47
ADRA2A P08913 3/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 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
SCHEMBL30945860 0.80 ALDH1A1 (0.61) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL11014192 0.79 MEN1 (0.71) MEN1KMT2AATMMAPTTDP1
SCHEMBL843371 0.78 CHRM2 (0.69) MEN1KMT2AATMTDP1GAA
SCHEMBL12976485 0.78 KMT2A (0.70) MEN1KMT2AATMMAPTMAPK1
SCHEMBL31547203 0.78 MEN1 (0.70) MEN1KMT2AATMMAPTTDP1
SCHEMBL6417366 0.78 MEN1 (1.00) MEN1KMT2AATMTDP1GAA
SCHEMBL16523598 0.78 KMT2A (0.70) MEN1KMT2AATMMAPTTDP1
SCHEMBL16523593 0.78 KMT2A (0.70) MEN1KMT2AATMMAPTGAA
SCHEMBL16980540 0.77 MEN1 (0.64) MEN1KMT2AATMMAPTMAPK1
SCHEMBL17080774 0.77 MEN1 (0.64) MEN1KMT2AATMMAPTMAPK1

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-2012016133-A2 ROS1 KINASE INHIBITORS FOR THE TREATMENT OF GLIOBLASTOMA AND OTHER P53-DEFICIENT CANCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-02 WO disclosed