SCHEMBL7559487

SCHEMBL7559487

CC(C)(C)OC(=O)NC1CN(c2cc(NC3CC3)c(C(=O)N(N)C(=O)OC(C)(C)C)cc2F)CC12CC2

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TNF P01375 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
BRD4 O60885 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
SCHEMBL7559477 1.00 KDM4D (0.31) KDM4DHDAC3HDAC1HDAC2TNF
SCHEMBL4526115 0.85 USP30 (0.33) KDM4DTNFIRAK4BRD4
SCHEMBL4526111 0.85 USP30 (0.33) KDM4DTNFIRAK4BRD4
SCHEMBL7512228 0.85 KDM4D (0.33) KDM4DHDAC3HDAC1HDAC2TNF
SCHEMBL7559233 0.82 TSHR (0.40)
SCHEMBL7513387 0.81 PIM1 (0.39) KDM4DHDAC3HDAC1HDAC2
SCHEMBL7558234 0.80 HCRTR2 (0.32)
SCHEMBL7513215 0.78 ACACB (0.40)
SCHEMBL4501896 0.78 ROCK2 (0.44) IRAK4
SCHEMBL7511353 0.78 AAK1 (0.36) KDM4D

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
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed