SCHEMBL4883272

SCHEMBL4883272

COc1nc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)OC(C)(C)COCC(F)(F)F)n1-c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
F9 P00740 1/20 0.34
MAPT P10636 5/20 0.34
TP53 P04637 3/20 0.34
NTRK1 P04629 1/20 0.34
LMNA P02545 2/20 0.33
MAPK8 P45983 1/20 0.33
SLC5A1 P13866 1/20 0.32
RAB9A P51151 5/20 0.32
NPC1 O15118 4/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL4886940 0.92 MEN1 (0.35) MEN1KMT2ACRHBPCRHR2TAS1R3
SCHEMBL4883276 0.88 MEN1 (0.38) MEN1KMT2ACRHBPCRHR2TAS1R3
SCHEMBL4788605 0.85 MAPT (0.44) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL4786501 0.84 MEN1 (0.35) MEN1KMT2ACRHBPCRHR2LMNA
SCHEMBL3290470 0.84 NTRK1 (0.42) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL4787971 0.81 MEN1 (0.38) MEN1KMT2ACRHBPCRHR2F9
SCHEMBL4786438 0.79 CNR1 (0.43) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL4788948 0.74 KMT2A (0.43) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL3441891 0.72 KMT2A (0.37) MEN1KMT2AMAPTNTRK1LMNA
SCHEMBL4897250 0.69 CNR1 (0.44) MEN1KMT2ATP53NTRK1LMNA

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-2008130313-A1 IMIDAZOLE DERIVATIVES AS MODULATORS OF THE GABA RECEPTOR FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-10-30 WO disclosed