SCHEMBL13748220

SCHEMBL13748220

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)O)CC[C@H]1N=[N+]=[N-]

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.51
▸ KMT2A Q03164 2/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ MAOA P21397 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CTSK P43235 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ GAA P10253 2/20 0.31
▸ EPHX1 P07099 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
SCHEMBL16668084 1.00 BTK (0.51) BTKKMT2AKDM1AMAOBMAOA
SCHEMBL19783843 1.00 BTK (0.51) BTKKMT2AKDM1AMAOBMAOA
SCHEMBL13618972 1.00 BTK (0.51) BTKKMT2AKDM1AMAOBMAOA
SCHEMBL15016061 0.90 BTK (0.51) BTKKMT2AKDM1AMAOBMAOA
SCHEMBL15016060 0.90 BTK (0.51) BTKKMT2AKDM1AMAOBMAOA
SCHEMBL13696126 0.90 BTK (0.51) BTKKMT2AKDM1AMAOBMAOA
SCHEMBL13696102 0.87 BTK (0.37) BTKKDM1AMAOBMAOASYK
SCHEMBL13618997 0.87 BTK (0.37) BTKKDM1AMAOBMAOASYK
SCHEMBL13618973 0.87 BTK (0.37) BTKKDM1AMAOBMAOASYK
SCHEMBL13631330 0.87 BTK (0.37) BTKKDM1AMAOBMAOASYK

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
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 — — US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 — — US disclosed
Send feedback