SCHEMBL28290159

SCHEMBL28290159

Cc1csc(C(=O)O)c1F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
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
DAO P14920 2/20 0.38
GAA P10253 1/20 0.37
AXL P30530 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 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
SCHEMBL18701663 0.82 POLB (0.37) L3MBTL1POLBTDP1PKMKDM4E
SCHEMBL28291558 0.78 POLB (0.51) L3MBTL1POLBTDP1PKMKDM4E
SCHEMBL3836429 0.77 POLB (0.55) L3MBTL1POLBTDP1PKMKDM4E
SCHEMBL18701639 0.76 TSHR (0.43) L3MBTL1POLBTDP1PKMKDM4E
SCHEMBL1371512 0.76 POLB (0.53) L3MBTL1POLBTDP1PKMKDM4E
SCHEMBL18152986 0.76 GPR35 (0.46) L3MBTL1POLBTDP1PKMKDM4E
Hydrochloric Acid SCHEMBL7810688 0.76 POLB (0.53) L3MBTL1POLBTDP1PKMKDM4E
SCHEMBL6492073 0.76 POLB (0.53) L3MBTL1POLBTDP1PKMKDM4E
SCHEMBL17479405 0.75 POLB (0.37) L3MBTL1POLBTDP1PKMKDM4E
SCHEMBL3636522 0.74 L3MBTL1 (0.52) L3MBTL1POLBTDP1PKMKDM4E

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
CN-109563094-A Acyclic derivatives, their preparation method and the pharmaceutical composition containing them that new (miscellaneous) aryl replaces 法国施维雅药厂 2019-04-02 CN disclosed