SCHEMBL8650240

SCHEMBL8650240

Cc1nc(O)c(C#N)c(C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.35
POLQ O75417 1/20 0.35
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 2/20 0.30
ADRA2A P08913 1/20 0.30
ADORA2A P29274 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL11099811 0.81 ALDH1A1 (0.42) ATMALDH1A1GAAHPGDHTT
SCHEMBL21686185 0.79 ALDH1A1 (0.38) ALDH1A1GAAHPGDHTTMEN1
SCHEMBL19734735 0.78 ALDH1A1 (0.43) LMNAALDH1A1GAAHPGDHTT
SCHEMBL30785515 0.76 ALDH1A1 (0.53) ATMLMNAALDH1A1GAAHPGD
SCHEMBL8650024 0.76 ALDH1A1 (0.53) ATMLMNAALDH1A1GAAHPGD
SCHEMBL4673214 0.76 HTT (0.58) LMNAALDH1A1GAAHPGDMAPK1
SCHEMBL9655842 0.76 LMNA (0.59) ATMLMNAALDH1A1GAAHPGD
SCHEMBL14251650 0.75 PKM (0.42) ATM
SCHEMBL7238065 0.74 ALDH1A1 (0.36) LMNAALDH1A1GAAHPGDHTT
SCHEMBL25884258 0.73 ALDH1A1 (0.37) ALDH1A1GAAHPGDHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710157-A INSECTICIDES FOR AGRICULTURE FMC CORPORATION (US) 1998-01-20 US disclosed
US-5593998-A 2,4-diamino-5,6-disubstituted-and 5,6,7-trisubstituted-5-deazapteridines as insecticides FMC CORPORATION (US) 1997-01-14 US disclosed
US-5547954-A MIXED WITH AGRICULTURAL ACCEPTABLE CARRIER FMC CORPORATION (US) 1996-08-20 US disclosed
US-5532370-A FOR INSECTS INCLUDING LARVAE SUCH AS TOBACCO BUDWORM FMC CORPORATION (US) 1996-07-02 US disclosed
EP-0045016-B1 TRIAZOLYLALKYL-PYRIDYL ETHERS, THEIR PREPARATION AND USE AS FUNGICIDES BAYER AG (DE) 1984-09-12 EP disclosed
US-4427672-A Combating fungi with substituted triazolylalkyl pyridyl ethers BAYER AKTIENGESELLSCHAFT (DE) 1984-01-24 US disclosed
EP-0032561-B1 TRIAZOLYLPHENACYL-PYRIDYL-ETHER DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS FUNGICIDES BAYER AG (DE) 1983-05-04 EP disclosed
US-4330547-A Combatting fungi with triazolylphenacyl pyridyl ether derivatives BAYER AKTIENGESELLSCHAFT (DE) 1982-05-18 US disclosed
EP-0045016-A1 Triazolylalkyl-pyridyl ethers, their preparation and use as fungicides BAYER AG (DE) 1982-02-03 EP disclosed