SCHEMBL11089357

SCHEMBL11089357

CCCNc1nc(C#N)c(C#N)nc1-c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.44
KDM4E B2RXH2 12/20 0.41
ALDH1A1 P00352 12/20 0.41
HPGD P15428 9/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
RAB9A P51151 6/20 0.41
GAA P10253 6/20 0.41
NPC1 O15118 5/20 0.41
LMNA P02545 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA1 P30542 3/20 0.39
ADORA2B P29275 1/20 0.39
MAPT P10636 4/20 0.38
HSD17B10 Q99714 6/20 0.38
POLB P06746 3/20 0.38
GFER P55789 1/20 0.38
ADORA2A P29274 2/20 0.38
USP8 P40818 1/20 0.38

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
SCHEMBL11089932 0.90 ERBB2 (0.47) ERBB2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11093965 0.87 KDM4E (0.50) ERBB2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11402185 0.85 KDM4E (0.59) ERBB2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11096062 0.84 CTSS (0.44) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL11090728 0.79 CTSS (0.46) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL2681245 0.78 ERBB2 (0.61) ERBB2KDM4EALDH1A1HPGDRAB9A
SCHEMBL11087127 0.78 ADORA1 (0.51) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL11094919 0.78 ADORA1 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL11090104 0.76 ADORA1 (0.59) ERBB2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11085923 0.73 CTSS (0.47) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A

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