SCHEMBL11140976

SCHEMBL11140976

COC(=O)c1cc(=O)n(-c2ccc(N)cc2S(=O)(=O)O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
RAPGEF4 Q8WZA2 1/20 0.37
GAA P10253 6/20 0.37
MAPT P10636 4/20 0.37
POLB P06746 2/20 0.37
RECQL P46063 2/20 0.37
CASP6 P55212 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ELAVL1 Q15717 1/20 0.37
APOBEC3G Q9HC16 2/20 0.36
NSD2 O96028 1/20 0.36
APEX1 P27695 1/20 0.36
APOBEC3A P31941 1/20 0.36
ALKBH5 Q6P6C2 5/20 0.36
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.33

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
SCHEMBL11139711 0.93 KDM4E (0.40) KDM4EALDH1A1RAPGEF4GAAMAPT
SCHEMBL9397382 0.89 ALDH1A1 (0.57) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL7830050 0.86 ALKBH5 (0.45) KDM4EALDH1A1RAPGEF4GAAMAPT
SCHEMBL7840819 0.81 MAPT (0.44) KDM4EALDH1A1RAPGEF4GAAMAPT
SCHEMBL8076096 0.79 ALKBH5 (0.45) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL10703638 0.78 ALDH1A1 (0.36) KDM4EALDH1A1RAPGEF4GAAMAPT
SCHEMBL8990040 0.77 ALDH1A1 (0.43) KDM4EALDH1A1MAPTL3MBTL1MEN1
SCHEMBL5159217 0.75 ALDH1A1 (0.58) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL11530274 0.75 RAPGEF4 (0.36) KDM4EALDH1A1RAPGEF4GAAMAPT
SCHEMBL5162071 0.73 ALDH1A1 (0.37) KDM4EALDH1A1GAAMAPTCASP6

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
US-4378312-A CONTAINING 1,3,5-TRIAZINE RING(S); WILL FORM COMPLEX WITH COPPER, COBALT OR CHROMIUM HOECHST AKTIENGESELLSCHAFT (DE) 1983-03-29 US disclosed