SCHEMBL10896286

SCHEMBL10896286

Nc1csc2ccc(F)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
TP53 P04637 5/20 0.51
LMNA P02545 3/20 0.51
THRB P10828 1/20 0.49
CA2 P00918 1/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MPI P34949 5/20 0.39
PMM2 O15305 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
G6PD P11413 1/20 0.39
PHOSPHO1 Q8TCT1 1/20 0.37
TLR9 Q9NR96 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL4730693 0.85 CA2 (0.47) MAPTTP53LMNATHRBCA2
SCHEMBL10890683 0.79 MAPT (0.54) MAPTTP53LMNATHRBCA2
SCHEMBL11408802 0.75 KDM4E (0.41) MAPTTP53LMNATHRBCA2
SCHEMBL11268696 0.75 KDM4E (0.51) MAPTTP53LMNATHRBCA2
SCHEMBL11271924 0.73 TP53 (0.49) MAPTTP53LMNATHRBCA2
SCHEMBL31158949 0.73 MAPT (0.44) MAPTTP53LMNACA2MTNR1A
SCHEMBL7342130 0.73 MAPT (0.44) MAPTTP53LMNACA2MTNR1A
SCHEMBL10896756 0.73 CYP2A6 (0.47) MAPTTP53LMNACA2ALDH1A1
SCHEMBL413347 0.71 MAPT (0.45) MAPTTP53LMNATHRBCA2
SCHEMBL2095397 0.69 MAPT (0.44) MAPTTP53LMNATHRBCA2

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
US-4614745-A Anti-allergic 3-(carboxycarbonyl)amino benzothiopyran-4-one derivatives, compositions, and method of use therefor CIBA-GEIGY CORPORATION (US) 1986-09-30 US disclosed
EP-0159964-A2 3-Substituted thiopyrone CIBA-GEIGY AG (CH) 1985-10-30 EP disclosed