SCHEMBL1287060

SCHEMBL1287060

COC(=O)c1ccnc(CN2CCCC2C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 3/20 0.41
▸ KDM5C P41229 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41
▸ KDM3A Q9Y4C1 1/20 0.41
▸ PROKR1 Q8TCW9 5/20 0.41
▸ JMJD6 Q6NYC1 1/20 0.40
▸ RBP4 P02753 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ KDM5A P29375 2/20 0.38
▸ KDM5B Q9UGL1 2/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ RHOA P61586 1/20 0.37
▸ PHGDH O43175 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1287020 0.86 KDM4C (0.54) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL9736097 0.76 KDM4C (0.54) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL15726745 0.75 PIK3CA (0.50) KDM4CKDM5CPROKR1JMJD6KDM5A
SCHEMBL21936302 0.74 AKT1 (0.35) KDM4EGRM2ALOX15
SCHEMBL23990564 0.72 KDM4E (0.51) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL1287025 0.71 KDM5C (0.51) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL30281068 0.71 KDM4E (0.50) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL1287024 0.70 BRD4 (0.48) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL1286996 0.70 KDM4C (0.44) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL17144425 0.70 KDM4C (0.56) KDM4CKDM5CKDM6BKDM2AKDM3A

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-2012047156-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS PLASMINOGEN INHIBITORS AND THEIR USE IN THE TREATMENT OF FIBRINOLYSIS RELATED DISEASES ASTRAZENECA AB (SE) 2012-04-12 — — WO disclosed
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