SCHEMBL9690804

SCHEMBL9690804

[CH2]CC(Cl)Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MGLL Q99685 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
CHRNA7 P36544 1/20 0.32
FFAR1 O14842 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL3688482 0.77 ALDH1A1 (0.40) MAPK1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL7440136 0.77 MAPK1 (0.37) MAPK1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL638508 0.74 MAOA (0.39) MAPK1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3696001 0.74 SMN1; SMN2 (0.38) MAPK1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL1454786 0.73 MAOA (0.42) MAPK1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL12162316 0.72 MAPK1 (0.38) MAPK1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL10691015 0.72 SMN1; SMN2 (0.45) MAPK1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3911663 0.72 SMN1; SMN2 (0.45) MAPK1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL14894782 0.70 SMN1; SMN2 (0.43) MAPK1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL10737847 0.70 RECQL (0.34) MAPK1ALDH1A1SMN1; SMN2MAPTHPGD

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
EP-0471756-A4 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF 1992-04-08 EP claimed
EP-0471756-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF. STERLING WINTHROP INC (US) 1992-02-26 EP claimed