SCHEMBL7537505

SCHEMBL7537505

CCCCNc1nc(NCCCC)nc(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
ACP1 P24666 1/20 0.61
IDH1 O75874 1/20 0.59
KCNH3 Q9ULD8 1/20 0.59
ABCB1 P08183 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
MAPT P10636 2/20 0.49
TLR8 Q9NR97 3/20 0.49
PDE5A O76074 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CASP6 P55212 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
GBA1 P04062 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL8039439 0.93 KCNH3 (0.65) POLBACP1IDH1KCNH3MAPT
SCHEMBL13140035 0.89 IDH1 (0.63) POLBACP1IDH1KCNH3ABCB1
SCHEMBL4027047 0.89 NPSR1 (0.64) POLBACP1IDH1KCNH3MAPT
SCHEMBL15094204 0.86 KCNH3 (0.64) POLBACP1KCNH3ABCB1ABCG2
SCHEMBL29561075 0.86 KCNH3 (0.64) POLBACP1IDH1KCNH3ABCB1
SCHEMBL15094945 0.86 KCNH3 (0.64) POLBACP1IDH1KCNH3ABCB1
SCHEMBL13140031 0.85 IDH1 (0.58) POLBACP1IDH1KCNH3ABCB1
SCHEMBL19579565 0.85 NPSR1 (0.62) POLBACP1IDH1KCNH3MAPT
SCHEMBL7990159 0.82 POLB (0.49) POLBACP1IDH1KCNH3PDE5A
SCHEMBL8052100 0.82 IDH1 (0.57) POLBIDH1PDE5ALMNAMAPK1

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 10 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
US-6124381-A CURING ACCELERATOR IS A 2-((MONO- OR DI-ALKYL)AMINO, MORPHOLINO, PIPERIDINO, METHYL OR PHENYL)-4,6-SUBSTITUTED DIAMINO-1,3,5-TRIAZINE OF GIVEN FORMULA; POT LIFE, STORAGE STABILITY, AND WORKABILITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 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-0834523-A1 EPOXY/ACID ANHYDRIDE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-04-08 EP 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