SCHEMBL8699160

SCHEMBL8699160

Cc1ccccc1-n1ccnc1S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
HCAR1 Q9BXC0 1/20 0.40
FLT3 P36888 2/20 0.38
GSK3B P49841 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
GRM1 Q13255 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
MGLL Q99685 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL14428964 0.81 CYP3A4 (0.50) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL15925192 0.80 CYP1A2 (0.42) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL10624672 0.78 IDO1 (0.49) ALDH1A1CYP3A4CYP1A2CYP2D6L3MBTL1
SCHEMBL17844100 0.78 PI4KA (0.46) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9359348 0.78 ALDH1A1 (0.42) ALDH1A1PI4KAPI4K2BPI4K2API4KB
Lithium Ion SCHEMBL9356239 0.76 ALDH1A1 (0.41) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL8089304 0.76 CYP3A4 (0.39) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL15315970 0.76 KDR (0.51) ALDH1A1GRM1FLT1TSHR
SCHEMBL14422762 0.75 ALDH1A1 (0.40) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5638922 0.75 NPC1 (0.49) ALDH1A1PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998046593-A1 NOVEL CARBOSTYRIL DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-22 WO disclosed
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