SCHEMBL9566860

SCHEMBL9566860

CN(C)c1cccc(Br)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
GAA P10253 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MCL1 Q07820 1/20 0.39
CA2 P00918 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TSHR P16473 3/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NSD2 O96028 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHEK1 O14757 1/20 0.35
NEK2 P51955 1/20 0.35
LIMK1 P53667 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL29713864 0.79 ALDH1A1 (0.44) MAPTGAAKDM4ECA2ALDH1A1
SCHEMBL545805 0.79 ALDH1A1 (0.44) MAPTGAAKDM4ECA2ALDH1A1
SCHEMBL20836423 0.78 MAPT (0.44) MAPTGAAKDM4EMCL1CA2
SCHEMBL31483713 0.78 MAPT (0.44) MAPTGAAKDM4EMCL1CA2
SCHEMBL6675092 0.77 ALDH1A1 (0.31) GAAALDH1A1
Hydrochloric Acid SCHEMBL2872399 0.77 MAPT (0.43) MAPTGAAKDM4ECA2ALDH1A1
SCHEMBL10340767 0.77 MAPT (0.43) MAPTGAAKDM4ECA2ALDH1A1
SCHEMBL7944113 0.76 CHEK1 (0.47) MAPTGAAKDM4EMCL1CA2
SCHEMBL29643330 0.76 CA2 (0.53) MAPTGAAKDM4EMCL1CA2
SCHEMBL2960296 0.76 CA2 (0.53) MAPTGAAKDM4EMCL1CA2

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-0558857-A1 Method for the manufacture of P-bromodimethyl aniline IMI (TAMI) INSTITUTE FOR RESEARCH & DEVELOPMENT LTD. (IL) 1993-09-08 EP disclosed