SCHEMBL8211547

SCHEMBL8211547

COC(=O)N1C=Cc2ccccc2C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
P2RX4 Q99571 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
BRD4 O60885 1/20 0.37
CCL2 P13500 1/20 0.37
ABCB1 P08183 1/20 0.36
GAA P10253 2/20 0.36
KIF11 P52732 1/20 0.36
LMNA P02545 1/20 0.36
P2RX7 Q99572 1/20 0.35
TSHR P16473 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
SCHEMBL1650831 0.83 ATM (0.49) ATMALDH1A1MAPTP2RX4MEN1
SCHEMBL3062557 0.79 ATM (0.41) ATMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3062426 0.75 ALDH1A1 (0.41) ATMALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL10756064 0.74 ATM (0.41) ATMALDH1A1MAPTP2RX4MEN1
SCHEMBL3223946 0.72 KIF11 (0.40) ATMALDH1A1P2RX4MEN1KMT2A
SCHEMBL9112803 0.71 ALDH1A1 (0.46) ATMALDH1A1MAPTP2RX4KMT2A
SCHEMBL6977310 0.69 ATM (0.39) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL6372301 0.68 ATM (0.46) ATMALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL24017022 0.67 ALDH1A1 (0.49) ATMALDH1A1MAPTP2RX4MEN1
SCHEMBL16469941 0.67 BRD4 (0.37) ATMALDH1A1MAPTMEN1KMT2A

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
US-6017927-A Quinuclidine derivatives and medicinal composition thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed