SCHEMBL13329839

SCHEMBL13329839

CCOC(=O)c1sc(N2CCCCC2)nc1-c1cnc(N2CCN(CC)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.44
▸ ALDH1A1 P00352 5/20 0.41
▸ GAA P10253 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ HTR1A P08908 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL13329913 0.89 ALDH1A1 (0.48) KDM4EALDH1A1GAANPSR1MAPT
SCHEMBL13330218 0.89 ALDH1A1 (0.41) KDM4EALDH1A1GAANPSR1MAPT
SCHEMBL13330055 0.89 RAB9A (0.41) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL13329825 0.89 KDM4E (0.38) KDM4EALDH1A1GAANPSR1MAPT
SCHEMBL13330056 0.84 ALDH1A1 (0.38) KDM4EALDH1A1GAANPSR1MAPT
SCHEMBL13329799 0.83 ACVR1 (0.40) KDM4EALDH1A1GAANPSR1MAPT
SCHEMBL13329828 0.81 DGAT1 (0.36) KDM4EALDH1A1NPSR1MAPTHPGD
SCHEMBL13329850 0.80 CDC7 (0.55) KDM4EALDH1A1GAANPSR1MAPT
SCHEMBL13330053 0.79 ALDH1A1 (0.38) KDM4EALDH1A1GAANPSR1MAPT
SCHEMBL13329993 0.78 ALDH1A1 (0.39) KDM4EALDH1A1GAANPSR1MAPT

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-2010067123-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 — — WO disclosed
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