SCHEMBL9850386

SCHEMBL9850386

Oc1ccccc1NCCNCCNc1cccc2cccnc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.64
KMT2A Q03164 10/20 0.64
MAPT P10636 6/20 0.64
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 2/20 0.64
BLM P54132 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
NSD2 O96028 1/20 0.64
HDAC8 Q9BY41 2/20 0.51
MMP2 P08253 1/20 0.51
CHRM1 P11229 1/20 0.51
TSHR P16473 1/20 0.51
COMT P21964 1/20 0.51
ADRA1A P35348 1/20 0.51
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
GAA P10253 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
APAF1 O14727 2/20 0.51
CASP6 P55212 1/20 0.51

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
Hydrochloric Acid SCHEMBL9850493 0.86 MEN1 (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL522650 0.84 MEN1 (0.59) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9850257 0.84 MEN1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9850488 0.83 MAPT (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9850592 0.82 BCHE (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9850416 0.80 MEN1 (0.59) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9850583 0.80 MEN1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9850394 0.80 SLC40A1 (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9850383 0.79 KMT2A (0.46) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9850499 0.79 HTR1A (0.64) MEN1KMT2AMAPTKDM4EALDH1A1

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-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed