SCHEMBL10899375

SCHEMBL10899375

Cc1ccc2coc(-c3ccncc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
GAA P10253 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
ACHE P22303 1/20 0.36
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35

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
SCHEMBL10901540 0.87 NPC1 (0.40) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL10899410 0.81 NPC1 (0.40) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL10901636 0.80 MKNK2 (0.47) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL10899817 0.80 PDGFRB (0.48) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL10902115 0.76 RAB9A (0.46) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL10902564 0.75 MAPT (0.41) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL10903355 0.74 PDGFRB (0.47) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL10906164 0.72 NPC1 (0.40) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL8404425 0.70 CYP1A2 (0.46) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL10899791 0.70 MAPK14 (0.45) ALDH1A1GAAMAPK13MAPK12MAPK11

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-4600719-A Tetrahydropyridine and piperidine derivatives CIBA GEIGY CORPORATION (US) 1986-07-15 US disclosed
US-4210655-A Anti-depressant benzofuranyl piperidines CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed