SCHEMBL6279765

SCHEMBL6279765

COc1ccc(-n2c(NN)nc3ccccc3c2=O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
POLB P06746 1/20 0.60
RAB9A P51151 1/20 0.60
LMNA P02545 1/20 0.58
PDE10A Q9Y233 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
USP2 O75604 2/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL6278493 0.84 SMN1; SMN2 (0.70) MAPTKDM4EALDH1A1POLBRAB9A
SCHEMBL6276607 0.84 ALDH1A1 (0.65) MAPTKDM4EALDH1A1POLBRAB9A
SCHEMBL6286175 0.80 SMN1; SMN2 (0.70) MAPTKDM4EALDH1A1POLBRAB9A
SCHEMBL6285402 0.79 MAPT (0.56) MAPTKDM4EALDH1A1POLBRAB9A
SCHEMBL6280169 0.78 KDM4E (0.57) MAPTKDM4EALDH1A1POLBRAB9A
SCHEMBL6281843 0.78 SMN1; SMN2 (0.57) MAPTKDM4EALDH1A1POLBRAB9A
SCHEMBL6281164 0.77 SMN1; SMN2 (0.60) MAPTKDM4EALDH1A1POLBRAB9A
SCHEMBL6308294 0.77 CCKBR (0.63)
SCHEMBL6279307 0.77 KDM4E (0.56) MAPTKDM4EALDH1A1POLBRAB9A
SCHEMBL6276556 0.76 KDM4E (0.56) MAPTKDM4EALDH1A1POLBRAB9A

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-6897213-B1 Heterocycles as cholecystokinin (CCK) ligands WARNER-LAMBERT COMPANY (US) 2005-05-24 US disclosed
WO-1996020178-A1 NOVEL HETEROCYCLES AS CHOLECYSTOKININ (CCK) LIGANDS WARNER-LAMBERT COMPANY (US) 1996-07-04 WO disclosed