SCHEMBL9331396

SCHEMBL9331396

C=CC([S])Sc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL7184387 0.76 SMN1; SMN2 (0.39) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL28694462 0.73 MAOA (0.38) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL15068448 0.73 MAPT (0.36) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL10345825 0.73 ALDH1A1 (0.39) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL7581178 0.73 MAOA (0.38) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL9550729 0.70 SMN1; SMN2 (0.33) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL9427770 0.69 MAOA (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL8676495 0.68 MAPT (0.32) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL7219363 0.68 LMNA (0.33) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL777177 0.67 SMN1; SMN2 (0.46) MAPTHPGDSMN1; SMN2MGLLHSD17B10

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
EP-0254685-B1 Complexes with optically active sugar ligands, process for their preparation and their use CIBA GEIGY AG (CH) 1994-04-13 — — EP claimed
Send feedback