SCHEMBL7220666

SCHEMBL7220666

CC(C)C(C)(C#N)NC(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
CNR2 P34972 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ANO1 Q5XXA6 1/20 0.46
MAPT P10636 1/20 0.46
P2RX7 Q99572 2/20 0.43
LMNA P02545 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
HPGD P15428 1/20 0.42
GRM7 Q14831 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SHMT1 P34896 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
SCHEMBL7215966 0.86 KMT2A (0.46) CNR2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7219751 0.84 HTT (0.54) CNR2ALDH1A1MEN1NPC1KMT2A
SCHEMBL8102678 0.84 ALDH1A1 (0.52) ALDH1A1MEN1RAB9AKMT2AMAPT
SCHEMBL812153 0.81 ANO1 (0.43) L3MBTL1ALDH1A1KMT2AKEAP1NFE2L2
SCHEMBL8621979 0.79 RIOK2 (0.46) L3MBTL1ALDH1A1MEN1KMT2AANO1
SCHEMBL7214349 0.78 POLB (0.47) L3MBTL1ALDH1A1MEN1NPC1RAB9A
SCHEMBL7213629 0.77 L3MBTL1 (0.60) L3MBTL1CNR2ALDH1A1MEN1NPC1
SCHEMBL8240475 0.77 L3MBTL1 (0.73) L3MBTL1CNR2ALDH1A1MEN1NPC1
SCHEMBL7220957 0.77 L3MBTL1 (0.56) L3MBTL1CNR2ALDH1A1MEN1NPC1
SCHEMBL8650988 0.76 ANO1 (0.46) ALDH1A1MEN1KMT2AANO1MAPT

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
US-6504046-B1 Cyclization of nitriles using acids, to form oxazolinone chemical intermediates such as 2-phenyl-4-isopropyl-4-methyl-1,3-oxazol-5-one, used as fungicides IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-01-07 US disclosed
EP-1092705-A1 PROCESS FOR THE PREPARATION OF AMIDES IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2001-04-18 EP disclosed