SCHEMBL3409999

SCHEMBL3409999

CC(C)CN(C(=O)O)c1ccc2nc(S)sc2n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL3407676 0.86 TAS2R14 (0.36) ATMKDM4EKMT2ATDP1L3MBTL1
SCHEMBL3403825 0.86 KDM4E (0.33) ATMKDM4EKMT2ATDP1L3MBTL1
SCHEMBL3404345 0.83
SCHEMBL3407823 0.83 ADORA2A (0.39) ATMKDM4EKMT2ATDP1L3MBTL1
SCHEMBL3404213 0.81 MAPT (0.35) ATMKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL3407555 0.80 MAPT (0.32) MAPT
SCHEMBL3404301 0.80 BCHE (0.33) KDM4EKMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3403318 0.80
SCHEMBL3403902 0.79 CA2 (0.34) KDM4EPOLBMAPT
SCHEMBL3405776 0.79 ATM (0.33) ATMKDM4EKMT2ATDP1L3MBTL1

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-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed