SCHEMBL17834703

SCHEMBL17834703

Bc1c(C)csc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
GPR35 Q9HC97 4/20 0.40
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
DAO P14920 2/20 0.38
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
AXL P30530 1/20 0.35

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
SCHEMBL17834830 0.78 MAPT (0.53) POLBPKMKDM4EALDH1A1KMT2A
SCHEMBL3836429 0.77 POLB (0.55) POLBL3MBTL1TDP1PKMKDM4E
Hydrochloric Acid SCHEMBL7810688 0.76 POLB (0.53) POLBL3MBTL1TDP1PKMKDM4E
SCHEMBL1371512 0.76 POLB (0.53) POLBL3MBTL1TDP1PKMKDM4E
SCHEMBL6492073 0.76 POLB (0.53) POLBL3MBTL1TDP1PKMKDM4E
SCHEMBL25467924 0.74 POLB (0.35) POLBL3MBTL1TDP1GAA
SCHEMBL535647 0.74 L3MBTL1 (0.52) POLBL3MBTL1TDP1PKMKDM4E
SCHEMBL398932 0.74 L3MBTL1 (0.52) POLBL3MBTL1TDP1PKMKDM4E
SCHEMBL28290159 0.74 L3MBTL1 (0.56) POLBL3MBTL1TDP1PKMKDM4E
SCHEMBL3636522 0.74 L3MBTL1 (0.52) POLBL3MBTL1TDP1PKMKDM4E

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-2016092556-A1 7-(MORPHOLINYL)-2-(N-PIPERAZINYL) METHYL THIENO [2, 3-C] PYRIDINE DERIVATIVES AS ANTICANCER DRUGS NATCO PHARMA LIMITED (IN) 2016-06-16 WO disclosed