SCHEMBL27836751

SCHEMBL27836751

O=C(C(O)=S)c1c(-c2ccccc2)cc2ccccn12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.68
L3MBTL1 Q9Y468 5/20 0.64
THRB P10828 1/20 0.64
MAPT P10636 9/20 0.60
HTT P42858 4/20 0.60
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL1645731 0.85 SMN1; SMN2 (0.68) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL27836749 0.85 SMN1; SMN2 (0.68) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1645322 0.85 SMN1; SMN2 (0.68) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL11082349 0.81 SMN1; SMN2 (0.68) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1644684 0.81 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1645686 0.81 THRB (0.74) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1644750 0.80 L3MBTL1 (0.69) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL3613283 0.78 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1647304 0.78 SMN1; SMN2 (0.74) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1647385 0.78 SMN1; SMN2 (0.79) SMN1; SMN2L3MBTL1THRBMAPTHTT

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
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN claimed
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN disclosed