SCHEMBL7220925

SCHEMBL7220925

CC(C)C(C)(C#N)NC(=O)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
DPP4 P27487 2/20 0.34
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 3/20 0.33
ACACB O00763 2/20 0.33

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
SCHEMBL7213661 0.75 SMN1; SMN2 (0.39) SMN1; SMN2GAALMNADPP4KMT2A
SCHEMBL13218344 0.75 PIK3CD (0.48) POLBHTTSMN1; SMN2HSD17B10KMT2A
SCHEMBL103478 0.74 POLB (0.47) POLBHTTSMN1; SMN2LMNAHSD17B10
SCHEMBL8097337 0.72 SMN1; SMN2 (0.37) SMN1; SMN2LMNADPP4KMT2A
SCHEMBL23890495 0.71 LMNA (0.56) POLBHTTSMN1; SMN2LMNAHSD17B10
SCHEMBL7220027 0.70 SMN1; SMN2 (0.45) SMN1; SMN2LMNADPP4KMT2A
SCHEMBL10270127 0.70 ROCK2 (0.47) POLBHTTSMN1; SMN2LMNAHSD17B10
SCHEMBL22875389 0.70 ROCK2 (0.47) POLBHTTSMN1; SMN2LMNAHSD17B10
SCHEMBL1233979 0.70 POLB (0.44) POLBHTTSMN1; SMN2GAALMNA
SCHEMBL20781407 0.69 HSD17B10 (0.38) POLBHTTSMN1; SMN2GAAHSD17B10

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