SCHEMBL9215519

SCHEMBL9215519

CC(C)NC(=O)c1cnccc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
SIRT3 Q9NTG7 1/20 0.53
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
KDM5A P29375 1/20 0.43
ALOX5 P09917 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CHRM2 P08172 1/20 0.43
GRM5 P41594 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.43
KDM4C Q9H3R0 5/20 0.40
KDM6B O15054 2/20 0.40
SMYD3 Q9H7B4 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL9210426 0.94 TDP1 (0.53) TDP1SIRT3KDM4EALDH1A1GLA
SCHEMBL24997725 0.80 KDM5A (0.45) TDP1SIRT3KDM4EALDH1A1GLA
SCHEMBL13162021 0.80 SIRT3 (0.56) TDP1SIRT3KDM4EALDH1A1GLA
SCHEMBL22190223 0.80 TDP1 (0.55) TDP1SIRT3KDM4EALDH1A1GLA
SCHEMBL31678729 0.79 KDM4C (0.51) KDM4EALDH1A1GLAGAAKDM5A
SCHEMBL8485471 0.79 ROCK2 (0.59) KDM5AALOX5CHRM2GRM5SIGMAR1
SCHEMBL24568249 0.79 PREP (0.55) KDM4EALDH1A1GLAGAAKDM5A
SCHEMBL1687197 0.78 TDP1 (0.67) TDP1SIRT3KDM4EALDH1A1GLA
SCHEMBL1330970 0.78 TDP1 (0.67) TDP1SIRT3KDM4EALDH1A1GLA
SCHEMBL3890104 0.78 ALDH1A1 (0.67) TDP1SIRT3KDM4EALDH1A1GLA

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
EP-0422456-B1 Pyridine derivatives and their use in combating unwanted plant growth BASF AG (DE) 1995-05-03 EP claimed