SCHEMBL21513692

SCHEMBL21513692

COC(=O)C1CC(c2ccnc(OC)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.43
▸ PROKR1 Q8TCW9 2/20 0.42
▸ ACACB O00763 1/20 0.38
▸ KCNK3 O14649 1/20 0.38
▸ KCNK9 Q9NPC2 1/20 0.38
▸ LOX P28300 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ TLR9 Q9NR96 3/20 0.37
▸ TLR8 Q9NR97 3/20 0.37
▸ TLR7 Q9NYK1 3/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CCNE1 P24864 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
SCHEMBL29969156 1.00 FFAR1 (0.43) FFAR1PROKR1ACACBKCNK3KCNK9
SCHEMBL21513693 0.79 NNMT (0.43) ACACBCHRNA7KDM4E
SCHEMBL21513698 0.78 LATS1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12093555 0.76 LOX (0.47) FFAR1PROKR1LOXLOXL2TLR9
Hydrochloric Acid SCHEMBL16684864 0.75 LOX (0.45) FFAR1PROKR1LOXLOXL2TLR9
SCHEMBL28781294 0.74 FFAR1 (0.40) FFAR1PROKR1TLR9TLR8TLR7
SCHEMBL23090216 0.74 PROKR1 (0.36) FFAR1PROKR1KCNK3KCNK9CYP17A1
SCHEMBL28364326 0.74 PROKR1 (0.36) FFAR1PROKR1KCNK3KCNK9CYP17A1
SCHEMBL26651185 0.74 PROKR1 (0.36) FFAR1PROKR1KCNK3KCNK9CYP17A1
SCHEMBL21512763 0.73 ITGA4 (0.37) FFAR1PROKR1ACACBKCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP disclosed
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 — — WO disclosed
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