SCHEMBL4883276

SCHEMBL4883276

COc1nc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)OC(C)(C)COCC(F)(F)F)n1-c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 5/20 0.34
LMNA P02545 3/20 0.34
TP53 P04637 2/20 0.34
CTSA P10619 3/20 0.34
RBP4 P02753 1/20 0.33
NTRK1 P04629 1/20 0.33

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 0.89 MEN1 (0.35) MEN1KMT2ACRHBPCRHR2TAS1R3
SCHEMBL3290470 0.82 NTRK1 (0.42) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL4786501 0.81 MEN1 (0.35) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL4787971 0.80 MEN1 (0.38) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL4788605 0.78 MAPT (0.44) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL4786438 0.76 CNR1 (0.43) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL4788948 0.70 KMT2A (0.43) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL3441891 0.68 KMT2A (0.37) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4897250 0.67 CNR1 (0.44) MEN1KMT2AALDH1A1ATMHPGD
SCHEMBL3441598 0.67 KDM4E (0.39) MEN1KMT2AALDH1A1HPGDSMN1; SMN2

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