SCHEMBL30171467

SCHEMBL30171467

O=C(c1ccc2ccc3c4ccccc4sc3c2n1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.35
MAPT P10636 2/20 0.34
EGLN1 Q9GZT9 3/20 0.34
GPR3 P46089 1/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 2/20 0.33
CES1 P23141 1/20 0.33
PIM3 Q86V86 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPK1 P28482 1/20 0.32
LIMK1 P53667 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP2C9 P11712 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL30171486 0.77 PLA2G2D (0.41) HDAC6HDAC1CES1MAPK1CYP2C9
SCHEMBL24865088 0.69 TNKS (0.39) PARP14MAPTPIM3MAPK1TNKS
SCHEMBL20418213 0.69 HDAC6 (0.39) PARP14HDAC6HDAC1CES1ALOX5
SCHEMBL30171452 0.68 LMNA (0.48) MAPTGPR3LIMK1CDK5CDK5R1
SCHEMBL24864783 0.65 ESR2 (0.42) PARP14MAPTEGLN1ALOX5MAPK1
SCHEMBL1039859 0.65 GPR3 (0.68) PARP14MAPTGPR3ALOX5LIMK1
SCHEMBL15497424 0.65 GPR3 (0.68) PARP14MAPTGPR3ALOX5LIMK1
SCHEMBL24865003 0.64 ESR2 (0.39) PARP14MAPTEGLN1ALOX5MAPK1
SCHEMBL17299458 0.64 GPR3 (0.54) PARP14MAPTGPR3ALOX5LIMK1
SCHEMBL29903935 0.64 GPR3 (0.54) MAPTGPR3ALOX5MEN1RAB9A

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-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed