SCHEMBL14645263

SCHEMBL14645263

COC(=O)c1ccsc1B(O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
CNR2 P34972 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX12 P18054 1/20 0.40
MAPK10 P53779 1/20 0.40
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29952204 0.81 TSHR (0.50) KMT2AMEN1KDM4EPOLBNPC1
SCHEMBL3788448 0.79 PTK2 (0.38) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL3961199 0.76 MEN1 (0.44) KMT2AMEN1KDM4EPOLBTDP1
SCHEMBL70575 0.75 KMT2A (0.56) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL31613086 0.75 MEN1 (0.43) KMT2AMEN1KDM4EPOLBTDP1
SCHEMBL163274 0.75 KMT2A (0.53) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL171052 0.75 KMT2A (0.53) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL190088 0.73 KMT2A (0.59) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL19439589 0.73 KMT2A (0.51) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL15111367 0.73 KMT2A (0.51) KMT2AMEN1SMN1; SMN2KDM4EPOLB

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-2817304-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BioChromix NewCo AB (SE) 2014-12-31 EP disclosed
WO-2013009259-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB (SE) 2013-01-17 WO disclosed