SCHEMBL6629939

SCHEMBL6629939

COc1ccc(N2C(=O)C(C)(c3ccc(N4CCOCC4)cc3)NC2=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GSK3B P49841 1/20 0.44
AKR1C3 P42330 1/20 0.44
GAA P10253 1/20 0.43
PRKDC P78527 1/20 0.43
ADAM17 P78536 1/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
KDM1A O60341 1/20 0.41
CTSE P14091 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL6668688 0.89 MAPT (0.49) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6626057 0.88 MAPT (0.48) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6626698 0.88 KMT2A (0.43) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6627878 0.88 ALDH1A1 (0.43) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6625012 0.87 CNR1 (0.46) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL6626307 0.87 MAPT (0.52) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6626132 0.87 ADAM17 (0.42) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6628115 0.86 CNR1 (0.49) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6623977 0.86 MGAT2 (0.40) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6624454 0.86 HTT (0.42) MAPTKMT2AALDH1A1MEN1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373219-A1 THIOHYDANTOINS AND USE THEREOF FOR TREATING DIABETES LABORATOIRES FOURNIER S.A. (FR) 2004-01-02 EP disclosed
WO-2002081453-A1 THIOHYDANTOINS AND USE THEREOF FOR TREATING DIABETES LABORATOIRES FOURNIER SA (FR) 2002-10-17 WO disclosed