SCHEMBL9719995

SCHEMBL9719995

c1c[nH]c(-c2nnc3ccccc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.42
▸ ABCG2 Q9UNQ0 3/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ ABCC1 P33527 2/20 0.39
▸ MAPT P10636 2/20 0.37
▸ GPR3 P46089 1/20 0.33
▸ PYGM P11217 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ NOX1 Q9Y5S8 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ CDK6 Q00534 1/20 0.32

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
SCHEMBL17694181 0.79 KDM4C (0.40) ABCB1ABCG2ABCC1NPC1KDM4C
SCHEMBL5858458 0.75 MAPT (0.43) ABCB1ABCG2MAPTPYGMNPC1
SCHEMBL3260924 0.74 CYP1A2 (0.46) ABCB1ABCG2ABCC1MAPTGPR3
SCHEMBL26598946 0.72 METAP1 (0.51) ABCB1ABCG2ABCC1ALDH1A1HSD17B10
SCHEMBL11351173 0.70 NISCH (0.48) PDPK1MAPTNPC1KDM4EALDH1A1
SCHEMBL15322100 0.69 HSF1 (0.35) ABCB1ABCG2ABCC1KDM4CHDAC1
SCHEMBL11348929 0.69 ABCB1 (0.37) ABCB1ABCG2ABCC1NPC1GBA1
SCHEMBL29887199 0.69 NPC1 (0.59) ABCG2PDPK1MAPTNPC1KDM4E
SCHEMBL2851617 0.69 NPC1 (0.59) ABCG2PDPK1MAPTNPC1KDM4E
SCHEMBL1084250 0.68 CYP2D6 (0.57) ABCB1ABCG2ABCC1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0088256-B2 FUNGICIDAL AGENT BAYER AG (DE) 1988-10-12 — — EP claimed
EP-0088256-B1 FUNGICIDAL AGENT BAYER AG (DE) 1986-07-23 — — EP claimed
EP-0003284-B1 FUNGICIDAL AND BACTERICIDAL COMPOSITIONS CONTAINING 3-AZOLYL-BENZOTRIAZINES AND -BENZOTRIAZINE 1-OXIDES AND THEIR USE AGAINST PLANT DISEASES BAYER AG (DE) 1981-01-07 — — EP claimed
EP-0003284-A1 Fungicidal and bactericidal compositions containing 3-azolyl-benzotriazines and -benzotriazine 1-oxides and their use against plant diseases BAYER AG (DE) 1979-08-08 — — EP claimed
US-5086048-A 1,2,4-triazole of phenoxyether-ketones and phenoxyether-alkanols and copper complexes BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 — — US disclosed
US-4990528-A Mixture of fungicidal agents BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 — — US disclosed
US-4888349-A 1,2,4-TRIAZOLE DERIVATIVES OF PHENOXYKETONES OR ALKANOLS MIXED WITH IMIDAZOLE DERIVATIVES OF PHENYL SUBSTITUTED UNSATURATED ETHERS BAYER AKTIENGESELLSCHAFT (DE) 1989-12-19 — — US disclosed
US-4514402-A 1,2,4-TRIAZOLE AND QUINOXALINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1985-04-30 — — US disclosed
EP-0003284-B1 FUNGICIDAL AND BACTERICIDAL COMPOSITIONS CONTAINING 3-AZOLYL-BENZOTRIAZINES AND -BENZOTRIAZINE 1-OXIDES AND THEIR USE AGAINST PLANT DISEASES BAYER AG (DE) 1981-01-07 — — EP disclosed
US-4239760-A Combating fungi and bacteria with 3-azolyl-benzo-1,2,4-triazines and 1-oxides thereof BAYER AKTIENGESELLSCHAFT (DE) 1980-12-16 — — US disclosed
US-4239760-A Combating fungi and bacteria with 3-azolyl-benzo-1,2,4-triazines and 1-oxides thereof BAYER AKTIENGESELLSCHAFT (DE) 1980-12-16 — — US disclosed
US-4239760-A Combating fungi and bacteria with 3-azolyl-benzo-1,2,4-triazines and 1-oxides thereof BAYER AKTIENGESELLSCHAFT (DE) 1980-12-16 — — US disclosed
EP-0003284-A1 Fungicidal and bactericidal compositions containing 3-azolyl-benzotriazines and -benzotriazine 1-oxides and their use against plant diseases BAYER AG (DE) 1979-08-08 — — EP disclosed
EP-0003284-A1 Fungicidal and bactericidal compositions containing 3-azolyl-benzotriazines and -benzotriazine 1-oxides and their use against plant diseases BAYER AG (DE) 1979-08-08 — — EP disclosed
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