SCHEMBL11741908

SCHEMBL11741908

CN(C)c1cccc(-c2ccc(C#N)c(=O)[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
GAA P10253 3/20 0.64
ALDH1A1 P00352 3/20 0.64
GLA P06280 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MDM2 Q00987 1/20 0.48
GALR3 O60755 1/20 0.43
HPGD P15428 1/20 0.43
NOTUM Q6P988 1/20 0.41
AURKA O14965 1/20 0.39
ATM Q13315 1/20 0.38
IP6K1 Q92551 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL11736261 0.85 KDM4E (0.60) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL11736292 0.82 KDM4E (0.51) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9700724 0.80 KDM4E (0.66) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL7397061 0.78 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9525290 0.78 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9700710 0.78 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9526447 0.78 GAA (1.00) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL11735164 0.78 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9701346 0.78 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
Hydrochloric Acid SCHEMBL11731590 0.77 CYBB (0.43) KDM4EGAAALDH1A1GLAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053470-A BACTERICIDES, ANTIBIOTICS PARKE, DAVIS & COMPANY (US) 1977-10-11 US disclosed
US-3954734-A PENICILLIN AND CEPHALOSPORIN TYPE PARKE, DAVIS & COMPANY 1976-05-04 US disclosed
US-3951982-A Trialkylsilyl esters of 6(substituted amino)phenyl-1,-dihydro-2-oxonicotinic acid, methods for their production and conversion to the corresponding acid chlorides PARKE, DAVIS & COMPANY 1976-04-20 US disclosed