SCHEMBL28910002

SCHEMBL28910002

Cc1ccc2nc(C)cc(C=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.47
ELANE P08246 1/20 0.46
CYP1A2 P05177 3/20 0.46
GAA P10253 1/20 0.45
HTT P42858 2/20 0.44
KMT2A Q03164 3/20 0.43
MITF O75030 2/20 0.43
MAPT P10636 2/20 0.43
JAK2 O60674 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 1/20 0.41
SLC2A1 P11166 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL28910016 0.82 CASP3 (0.45) KDM4EALDH1A1CYP1A2GAAPKM
SCHEMBL1914529 0.81 CYP1A2 (0.63) L3MBTL1KDM4EALDH1A1CYP1A2HTT
SCHEMBL29935705 0.81 CYP1A2 (0.63) L3MBTL1KDM4EALDH1A1CYP1A2HTT
SCHEMBL3531515 0.80 LMNA (0.66) LMNAL3MBTL1KDM4EALDH1A1ELANE
SCHEMBL28910000 0.80 POLB (0.61) LMNAKDM4EALDH1A1KMT2APKM
SCHEMBL24956766 0.74 HTR1A (0.51) LMNAL3MBTL1KDM4EALDH1A1ELANE
SCHEMBL3529285 0.74 KMT2A (0.49) LMNAL3MBTL1KDM4EALDH1A1ELANE
SCHEMBL13701566 0.74 LMNA (0.58) LMNAL3MBTL1KDM4EALDH1A1ELANE
SCHEMBL24368914 0.74 LMNA (0.58) LMNAL3MBTL1KDM4EALDH1A1ELANE
SCHEMBL3760247 0.73 LMNA (0.61) LMNAL3MBTL1KDM4EALDH1A1ELANE

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
CN-115335378-A Monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-11 CN disclosed