SCHEMBL7559538

SCHEMBL7559538

CC(C)(C)OC(=O)N(N)C(=O)c1cc(F)c(N2CCCC2)c(Cl)c1NC1CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MELK Q14680 10/20 0.33
KAT7 O95251 1/20 0.33
DRD2 P14416 1/20 0.32
BTK Q06187 3/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7554372 0.87 KDM4D (0.38) DRD2BTK
SCHEMBL7581762 0.87 AAK1 (0.36) MELKBTKALDH1A1POLB
SCHEMBL7514863 0.86 IRAK1 (0.37) KAT7DRD2
SCHEMBL7513301 0.86 BTK (0.34) KAT7DRD2BTK
SCHEMBL7516546 0.85 BTK (0.39) BTK
SCHEMBL4512030 0.85 POLB (0.38) MELKKAT7POLBHPGD
SCHEMBL4519821 0.82 DRD2 (0.35) KAT7DRD2BTKHPGD
SCHEMBL7559233 0.82 TSHR (0.40) TSHRALDH1A1MAPTHTT
SCHEMBL7508482 0.80 BTK (0.38) BTK
SCHEMBL7514643 0.77 ACACB (0.41) DRD2

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