SCHEMBL6669901

SCHEMBL6669901

CC(C)(C)NC(=O)c1cnc2ccccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TACR3 P29371 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ERN1 O75460 1/20 0.40
NUDT1 P36639 1/20 0.39
HPGDS O60760 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
SCHEMBL14440319 0.83 L3MBTL1 (0.43) MAPTL3MBTL1MEN1KMT2A
SCHEMBL8124349 0.81 ERN1 (0.41) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL8116061 0.79 KDM4E (0.56) KDM4EMAPTALDH1A1LMNASMN1; SMN2
Alcohol SCHEMBL11089265 0.78 NMT1 (0.46) KDM4EMAPTMEN1KMT2APKM
SCHEMBL11026111 0.78 MAOB (0.47) KDM4EMAPTALDH1A1LMNAL3MBTL1
SCHEMBL23564828 0.78 KDM4E (0.50) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL25170288 0.78 GABRA1 (0.44) KDM4EMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL399518 0.77 HPGD (0.55) KDM4EMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11022900 0.77 DEGS1 (0.55) KDM4EMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL6149991 0.76 MAPK1 (0.45) KDM4EMAPTALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed