SCHEMBL9016862

SCHEMBL9016862

Cc1ccccc1-n1ccnc1[S@@+]([O-])CCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATP4A P20648 3/20 0.32
ATP4B P51164 3/20 0.32
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31

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
SCHEMBL8698389 1.00 MAPT (0.35) MAPTALDH1A1TP53MAPK1CYP1A2
SCHEMBL8698387 1.00 MAPT (0.35) MAPTALDH1A1TP53MAPK1CYP1A2
SCHEMBL8698048 0.83 MAPT (0.37) MAPTALDH1A1TP53CYP1A2CYP3A4
SCHEMBL8698052 0.83 MAPT (0.37) MAPTALDH1A1TP53CYP1A2CYP3A4
SCHEMBL8707525 0.79 MAPT (0.31) MAPT
SCHEMBL8701780 0.79 MAPT (0.31) MAPT
SCHEMBL9016906 0.71 MAPT (0.50) MAPTALDH1A1TP53MAPK1CYP1A2
SCHEMBL9016864 0.71 DRD2 (0.50) DRD2DRD3
SCHEMBL9016879 0.71 DRD2 (0.50) DRD2DRD3
SCHEMBL14428964 0.67 CYP3A4 (0.50) MAPTALDH1A1CYP1A2CYP3A4CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541198-A ANTISTICKING AGENTS FOR PLATELETS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-30 US disclosed
EP-0651747-B1 CARBOSTYRYL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-03-27 EP disclosed
EP-0651747-A1 CARBOSTYRIL DERIVATIVES. OTSUKA PHARMA CO LTD (JP) 1995-05-10 EP disclosed
WO-1994026732-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed