SCHEMBL4850834

SCHEMBL4850834

C=CCNc1nc(CCCCC)nc(NCC=C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.39
MAPK1 P28482 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
GBA1 P04062 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
GALR3 O60755 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4847831 0.91 MAPT (0.48) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL11581162 0.78 MAPT (0.48) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL3237315 0.78 GAA (0.53) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL15402937 0.76 KMT2A (0.66) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL822039 0.76 KMT2A (0.53) KMT2AMAPTHTTKCNH3
SCHEMBL9619229 0.75 GAA (0.44) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL28430619 0.74 KMT2A (0.51) KMT2AMAPTHTTKCNH3
SCHEMBL11667410 0.71 MAPT (0.40) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL92739 0.71 KCNH2 (0.46) KMT2AMEN1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11590422 0.70 GAA (0.62) GAAKMT2AMEN1ALDH1A1MAPT

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
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed