SCHEMBL3430669

SCHEMBL3430669

O=C(O)N1CC(=S)Nc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
HSP90AA1 P07900 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.49
THRB P10828 1/20 0.49
HK1 P19367 1/20 0.49
RECQL P46063 1/20 0.49
GALK1 P51570 1/20 0.49
BLM P54132 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
NOTUM Q6P988 2/20 0.41
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL17506418 0.82 AHR (0.50) MAPTNPC1KDM4EMAPK1MEN1
SCHEMBL3764990 0.79 DPP4 (0.41) DPP9DPP7HSP90B1TRAP1
SCHEMBL2557972 0.79 AHR (0.46) MEN1KMT2ABRD4LMNAAHR
SCHEMBL3769645 0.79 MAPK1 (0.63) MAPTNPC1KDM4EMAPK1MEN1
SCHEMBL2533362 0.76 NOTUM (0.64) MAPTNPC1MEN1HSP90AA1KMT2A
SCHEMBL29758685 0.76 NOTUM (0.64) MAPTNPC1MEN1HSP90AA1KMT2A
SCHEMBL27993916 0.75 MAPK1 (0.48) MAPTNPC1KDM4EMAPK1MEN1
SCHEMBL2818152 0.72 MAPK1 (0.63) MAPTNPC1MAPK1MEN1KMT2A
SCHEMBL2824864 0.71 BRD4 (0.56) MAPTNPC1MEN1KMT2ABRD4
SCHEMBL30231301 0.68 CALCRL (0.58)

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-2250157-A1 NOVEL HETEROCYCLIC COMPOUNDS Panacea Biotec Limited (IN) 2010-11-17 EP disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 WO disclosed