SCHEMBL11088998

SCHEMBL11088998

COc1ccccc1Nc1cnc(C#N)c(C#N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
EGFR P00533 1/20 0.51
MAPK10 P53779 1/20 0.49
AURKA O14965 2/20 0.47
PKM P14618 1/20 0.46
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL4641001 0.77 MAPT (0.58) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL11400723 0.72 ALDH1A1 (0.48) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL13562420 0.72 MAPT (0.60) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL30119815 0.71 MAPT (0.58) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL23413394 0.70 MAPT (0.50) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL31484130 0.70 MAPT (0.56) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL29887198 0.70 MAPT (0.50) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL7982480 0.69 MAPK10 (0.69) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL13689760 0.69 KMT2A (0.66) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL29740043 0.69 MAPT (0.65) MAPTALDH1A1GAARAB9ANPC1

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
US-4460403-A 2,3-Dicyano 6 phenyl pyrazine herbicides KYOWA GAS CHEMICAL INDUSTRY CO., LTD. (JP) 1984-07-17 US disclosed
US-4259489-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES KYOWA GAS CHEMICAL INDUSTRY CO. LTD. (JP) 1981-03-31 US disclosed