SCHEMBL8486872

SCHEMBL8486872

Cc1nc2cc[c]cc2c(N)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 1/20 0.39
NUDT1 P36639 1/20 0.39
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.35
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 2/20 0.34
GLA P06280 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
RAD52 P43351 2/20 0.34
GPR3 P46089 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3820902 0.73 DCPS (0.53)
SCHEMBL6320460 0.73 NCF1 (0.58) HSD17B10ALDH1A1CYP1A2KDM4EKMT2A
SCHEMBL27296318 0.72 ALDH1A1 (0.64) HSD17B10ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL30025532 0.72 ALDH1A1 (0.64) HSD17B10ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL194246 0.71 MAPT (0.39) HSD17B10ALDH1A1CYP1A2MAPTKDM4E
SCHEMBL1857081 0.69 ACHE (0.49) HSD17B10ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL29138904 0.68 GAA (0.33) KMT2AGAA
SCHEMBL8707994 0.68 MAOA (0.31) MAPTMAOA
SCHEMBL28042218 0.67 ALDH1A1 (0.62) HSD17B10ALDH1A1HPGDCYP1A2NUDT1
SCHEMBL8707262 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999001442-A1 TRIAZINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1999-01-14 WO claimed
WO-1999001442-A1 TRIAZINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1999-01-14 WO disclosed