SCHEMBL7707377

SCHEMBL7707377

COc1ccc(Sc2ccccc2C(N)=O)s1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.50
MAPT P10636 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 1/20 0.35
PARP1 P09874 1/20 0.33
CTNNB1 P35222 1/20 0.33
LMNA P02545 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
BRD4 O60885 1/20 0.33
METAP2 P50579 1/20 0.33
PKLR P30613 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL6633964 0.81 SIRT1 (0.54) SIRT1MAPTIRAK4TSHRKDM4E
SCHEMBL7701766 0.78 SIRT1 (0.54) SIRT1MAPTTSHRKDM4EALDH1A1
SCHEMBL3077375 0.74 SIRT1 (0.77) SIRT1MAPTIRAK4TSHRKDM4E
SCHEMBL7688109 0.72 CTNNB1 (0.54) MAPTIRAK4KDM4EMEN1KMT2A
SCHEMBL21248523 0.72 SIRT1 (0.68) SIRT1MAPTKDM4EALDH1A1HPGD
SCHEMBL6629448 0.71 SIRT1 (0.57) SIRT1MAPTTSHRKDM4EALDH1A1
SCHEMBL10764395 0.70 SIRT1 (0.55) SIRT1MAPTIRAK4TSHRKDM4E
SCHEMBL6632850 0.70 SIRT1 (0.65) SIRT1MAPTIRAK4TSHRKDM4E
SCHEMBL21248520 0.69 SIRT1 (0.62) SIRT1MAPTKDM4EHPGDMEN1
SCHEMBL6633843 0.68 SIRT1 (0.53) SIRT1MAPTTSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002016357-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed