SCHEMBL6529435

SCHEMBL6529435

COc1ccc(Cc2nsc(S)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
ALDH1A1 P00352 5/20 0.45
CYP2D6 P10635 1/20 0.45
ATM Q13315 1/20 0.45
IDO1 P14902 1/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
HTR6 P50406 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MPI P34949 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL1081345 0.82 ALDH1A1 (0.53) LTA4HALDH1A1CYP2D6ATMIDO1
SCHEMBL1020013 0.82 MAPT (0.49) LTA4HALDH1A1CYP2D6ATMMAPT
SCHEMBL2658058 0.76 LMNA (0.45) LTA4HALDH1A1CYP2D6ATMMAPT
SCHEMBL1020669 0.75 MAPT (0.44) LTA4HALDH1A1CYP2D6ATMMAPT
SCHEMBL1019458 0.74 MAPT (0.43) LTA4HALDH1A1CYP2D6ATMMAPT
SCHEMBL2011584 0.73 HTR3A (0.49) ALDH1A1HTR6POLBKDM4EKMT2A
SCHEMBL1019459 0.73 SLC6A4 (0.44) LTA4HALDH1A1CYP2D6ATMIDO1
SCHEMBL1020111 0.73 NOS2 (0.44) LTA4HALDH1A1CYP2D6ATMMAPT
SCHEMBL9867568 0.72 ADORA3 (0.54) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL2007339 0.72 HTR6 (0.48) LTA4HHTR6POLBKMT2A

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-2005026139-A1 NEMATICIDAL DIFLUOROALKENES BAYER CROPSCIENCE AG (DE) 2005-03-24 WO disclosed