SCHEMBL254525

SCHEMBL254525

CCCCCc1nnc([AsH2])c(CCCCC)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 2/20 0.44
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KCNH2 Q12809 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ DHFR P00374 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
SCHEMBL4949768 0.82 GPR84 (0.47) GPR84MEN1KMT2AKCNH2CYP1A2
SCHEMBL14877441 0.77 GPR84 (0.44) GPR84MEN1KMT2AKCNH2CYP1A2
SCHEMBL13978021 0.73 GPR84 (0.48) GPR84KCNH2CYP1A2CYP3A4ALDH1A1
SCHEMBL3664007 0.73 GPR84 (0.44) GPR84MEN1KMT2AKCNH2CYP1A2
SCHEMBL6463332 0.71 MEN1 (0.39) GPR84MEN1KMT2AKCNH2ALDH1A1
SCHEMBL92739 0.69 KCNH2 (0.46) GPR84MEN1KMT2AKCNH2CYP3A4
SCHEMBL3661591 0.68 GPR84 (0.46) GPR84KCNH2CYP1A2CYP3A4ALDH1A1
SCHEMBL29523323 0.67 KCNH2 (0.50) GPR84KCNH2CYP3A4ALDH1A1PKM
SCHEMBL7711334 0.67 KCNH2 (0.50) GPR84KCNH2CYP3A4ALDH1A1PKM
SCHEMBL31054446 0.67 KCNH2 (0.50) GPR84KCNH2CYP3A4ALDH1A1PKM

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
EP-2542538-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES Kumiai Chemical Industry Co., Ltd. (JP) 2013-01-09 — — EP disclosed
WO-2012002096-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-01-05 — — WO disclosed
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