SCHEMBL8995230

SCHEMBL8995230

CCC(=S)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
MAPT P10636 4/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
HPGD P15428 3/20 0.50
NCOA3 Q9Y6Q9 2/20 0.50
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.46
AGTR1 P30556 1/20 0.46
USP2 O75604 1/20 0.44
PTPN1 P18031 1/20 0.44
GSK3B P49841 1/20 0.44
WDR5 P61964 1/20 0.43
GRIN2B Q13224 1/20 0.43
FFAR1 O14842 1/20 0.42
CYP1A2 P05177 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 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
SCHEMBL2389975 0.86 ATM (0.50) SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1
SCHEMBL10872929 0.82 ERCC5 (0.48) SMN1; SMN2MAPTL3MBTL1HPGDNCOA3
SCHEMBL1039390 0.78 PTPN1 (0.59) SMN1; SMN2MAPTL3MBTL1HPGDNCOA3
SCHEMBL10873037 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MAPTL3MBTL1HPGDNCOA3
SCHEMBL10875509 0.77 KDM4E (0.44) SMN1; SMN2MAPTL3MBTL1HPGDNCOA3
SCHEMBL8938040 0.76 SMN1; SMN2 (0.61) SMN1; SMN2MAPTL3MBTL1HPGDNCOA3
SCHEMBL5571004 0.75 SMN1; SMN2 (0.41) SMN1; SMN2MAPTL3MBTL1HPGDNCOA3
SCHEMBL11388829 0.75 SMN1; SMN2 (0.44) SMN1; SMN2MAPTL3MBTL1HPGDNCOA3
SCHEMBL11823691 0.75 ERCC5 (0.43) SMN1; SMN2MAPTL3MBTL1HPGDNCOA3
SCHEMBL3656317 0.75 SMN1; SMN2 (0.60) SMN1; SMN2MAPTL3MBTL1HPGDNCOA3

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-5496844-A Indole derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-03-05 US disclosed
EP-0639567-A1 INDOLE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-22 EP disclosed