SCHEMBL21149302

SCHEMBL21149302

COC(=O)N(C)c1ccc(C(F)(F)F)c2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 4/20 0.44
▸ LTC4S Q16873 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.37
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ DYRK3 O43781 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CLK2 P49760 1/20 0.35

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
SCHEMBL28445624 0.86 SLC40A1 (0.46) SLC40A1LTC4SKDM4EBRD4L3MBTL1
SCHEMBL21149839 0.81 KDM4E (0.49) KDM4EGAALMNAL3MBTL1KEAP1
SCHEMBL21148901 0.74 SLC40A1 (0.54) SLC40A1KDM4EBRD4DYRK3PRKD3
SCHEMBL2785564 0.71 SLC40A1 (0.46) SLC40A1LTC4SKDM4EGAANFE2L2
SCHEMBL18205912 0.69 SLC40A1 (0.61) SLC40A1KDM4EDYRK3PRKD3MAP4K4
SCHEMBL10272166 0.69 SLC40A1 (0.47) SLC40A1KDM4EL3MBTL1TLR7ADORA2A
SCHEMBL29496213 0.69 SLC40A1 (0.47) SLC40A1KDM4EL3MBTL1TLR7ADORA2A
SCHEMBL18216600 0.69 SLC40A1 (0.51) SLC40A1LMNADYRK3PRKD3MAP4K4
SCHEMBL27947200 0.69 RPS6KB1 (0.58) SLC40A1KDM4EL3MBTL1
SCHEMBL15171328 0.69 PSMD14 (0.51) SLC40A1KDM4EBRD4LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019135600-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME 기초과학연구원 2019-07-11 — — WO disclosed
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