SCHEMBL8552372

SCHEMBL8552372

CCC(C)OCCOc1ccnc(-n2c(SC)nc3ccccc32)c1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ THRB P10828 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ PDPK1 O15530 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ AR P10275 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL8550147 0.87 — —
SCHEMBL8553294 0.87 S1PR4 (0.33) —
SCHEMBL8552692 0.86 TDP1 (0.36) MAPTALDH1A1
SCHEMBL8551375 0.86 KDM4E (0.39) PTGS2MAPTTHRBL3MBTL1KMT2A
SCHEMBL8672721 0.83 PTGS2 (0.40) PTGS2MAPTTHRBL3MBTL1KMT2A
SCHEMBL8668966 0.79 SMN1; SMN2 (0.38) PTGS2MAPTTHRBL3MBTL1KMT2A
SCHEMBL8443199 0.78 TDP1 (0.43) MAPTPOLBTSHRSMN1; SMN2
SCHEMBL8441858 0.78 CYP2D6 (0.44) MAPTPOLB
SCHEMBL8441755 0.77 MEN1 (0.39) PTGS2MAPTTHRBKMT2AMEN1
SCHEMBL8551897 0.77 LMNA (0.35) MAPTTHRBKMT2AMEN1LMNA

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
US-5708013-A BENZIMIDAZOLESULFOXIDE DERIVATIVES EISAI CO., LTD. (JP) 1998-01-13 — — US disclosed
Send feedback