SCHEMBL14743807

SCHEMBL14743807

COC(=O)c1cc(N(C)CC(=O)NCc2cnccn2)c2c(Cl)cc(Cl)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM4 P08173 1/20 0.35
NTRK1 P04629 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 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
SCHEMBL14743642 0.91 HPGDS (0.37) HPGDSTDP1CHRM4NTRK1HTT
SCHEMBL14743709 0.86 ALOX15 (0.37) TDP1HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL14743411 0.86 TDP1 (0.50) TDP1HTTALDH1A1HPGDTSHR
SCHEMBL14743956 0.85 PSMD14 (0.36) TDP1CHRM4NTRK1RAB9AALDH1A1
SCHEMBL14743000 0.84 ALDH1A1 (0.35) TDP1HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL14743911 0.83 ALDH1A1 (0.39) TDP1CHRM4ALDH1A1HPGDHSD17B10
SCHEMBL14743626 0.79 GAA (0.48) RAB9AHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL14743664 0.77 ALDH1A1 (0.36) RAB9AHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL14743641 0.77 RAB9A (0.45) MRGPRX4RAB9AHPGDGPBAR1SMN1; SMN2
SCHEMBL14743424 0.76 TDP1 (0.52) TDP1HTTALDH1A1HPGDSMN1; 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-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO disclosed