SCHEMBL9013436

SCHEMBL9013436

Cc1cc(C)c(C(=O)Oc2nc(Cl)nc(Cl)n2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MAPT P10636 4/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 5/20 0.37
IGFBP3 P17936 1/20 0.35
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 3/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ELANE P08246 1/20 0.32
DHODH Q02127 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9013225 0.81 KMT2A (0.40) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5608545 0.76 KMT2A (0.34) KMT2A
SCHEMBL125935 0.69 CYP3A4 (0.41) KMT2AMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL248738 0.69 CYP3A4 (0.41) KMT2AMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL4307871 0.69 HSP90AA1 (0.53) KMT2AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL8556307 0.69 POLB (0.37) KMT2AMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL28084277 0.68 CYP3A4 (0.40) KMT2AMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL2882316 0.68 SERPINE1 (0.46) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL29871279 0.68 CYP3A4 (0.39) KMT2AMAPTALDH1A1MAPK1SMN1; SMN2
Phosphine SCHEMBL18982856 0.68 CYP3A4 (0.39) KMT2AMAPTALDH1A1MAPK1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563266-A Method of use of disubstituted monochlorotriazines GENERAL ELECTRIC COMPANY (US) 1996-10-08 US claimed
US-5446155-A Reacting monoorganoxy dichloro-triazine with monohydroxy aliphatic compound in non-polar solvent and aqueous alkali metal hydroxide solution with the presence of phase transfer catalysts GENERAL ELECTRIC COMPANY (US) 1995-08-29 US claimed
EP-0592143-A1 Method for preparing disubstituted monochlorotriazines GENERAL ELECTRIC COMPANY (US) 1994-04-13 EP claimed
US-5563266-A Method of use of disubstituted monochlorotriazines GENERAL ELECTRIC COMPANY (US) 1996-10-08 US disclosed
US-5446155-A Reacting monoorganoxy dichloro-triazine with monohydroxy aliphatic compound in non-polar solvent and aqueous alkali metal hydroxide solution with the presence of phase transfer catalysts GENERAL ELECTRIC COMPANY (US) 1995-08-29 US disclosed
EP-0592143-A1 Method for preparing disubstituted monochlorotriazines GENERAL ELECTRIC COMPANY (US) 1994-04-13 EP disclosed