SCHEMBL3400971

SCHEMBL3400971

COC(=O)c1sc(Cl)nc1-c1nc(N(C)C)sc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
ADORA2A P29274 1/20 0.40
LMNA P02545 1/20 0.37
TSHR P16473 3/20 0.37
KMT2A Q03164 4/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL3400967 0.81 RAB9A (0.38) ALDH1A1HPGDADORA2ALMNATSHR
SCHEMBL3406920 0.78 ALDH1A1 (0.43) ALDH1A1HPGDLMNATSHRKMT2A
SCHEMBL3405612 0.77 L3MBTL1 (0.43) ALDH1A1HPGDADORA2ALMNATSHR
SCHEMBL1724016 0.73 ALDH1A1 (0.46) ALDH1A1HPGDLMNATSHRKMT2A
SCHEMBL11278098 0.73 LMNA (0.64) ALDH1A1LMNAKMT2AHSD17B10MEN1
SCHEMBL11289442 0.73 MAPT (0.52) ALDH1A1LMNAKMT2AMAPTGAA
SCHEMBL19981322 0.72 HPGD (0.63) ALDH1A1HPGDTSHRKMT2AHSD17B10
SCHEMBL27191747 0.72 MAPT (0.51) ALDH1A1HPGDLMNATSHRKMT2A
SCHEMBL3399825 0.71 ALDH1A1 (0.40) ALDH1A1HPGDLMNATSHRKMT2A
SCHEMBL9750566 0.71 CDC7 (0.51) ALDH1A1HPGDLMNATSHRKMT2A

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
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed