SCHEMBL7542717

SCHEMBL7542717

C[N]CC=Cc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RELA Q04206 1/20 0.43
CA1 P00915 1/20 0.43
CYP2A6 P11509 1/20 0.41
FBP1 P09467 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 2/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
FGF23 Q9GZV9 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL7774660 1.00 NFE2L2 (0.46) NFE2L2RAB9ANPC1SMN1; SMN2RELA
SCHEMBL3149816 0.82 PAM (0.52) NFE2L2RELAMAOAMAOB
SCHEMBL3149821 0.82 PAM (0.52) NFE2L2RELAMAOAMAOB
SCHEMBL11143780 0.79 NFE2L2 (0.41) NFE2L2RAB9ANPC1SMN1; SMN2RELA
SCHEMBL11143797 0.79 NFE2L2 (0.41) NFE2L2RAB9ANPC1SMN1; SMN2RELA
SCHEMBL82371 0.79 NFE2L2 (0.48) NFE2L2RAB9ANPC1SMN1; SMN2RELA
SCHEMBL82370 0.79 NFE2L2 (0.48) NFE2L2RAB9ANPC1SMN1; SMN2RELA
SCHEMBL5704309 0.76 NFE2L2 (0.50) NFE2L2RAB9ANPC1SMN1; SMN2RELA
SCHEMBL8442224 0.76 NFE2L2 (0.50) NFE2L2RAB9ANPC1SMN1; SMN2RELA
SCHEMBL19452718 0.74 NFE2L2 (0.48) NFE2L2RAB9ANPC1SMN1; SMN2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711760-B1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2002-05-15 EP disclosed
EP-0882720-B1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2001-08-22 EP disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-6127538-A HYDROXYALKYLATION OF A TRIAMINO TRIAZINE DERIVATIVE HAVING AT LEAST ONE REACTIVE NITROGEN BY REACTING WHILE HEATING WITH AN ALKANEDIOL OR ITS ADDUCT IN THE PRESENCE OF HYDROGEN AND A METAL CATALYST; BY-PRODUCT INHIBITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-03 US disclosed
EP-0882720-A1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-12-09 EP disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed