SCHEMBL7220027

SCHEMBL7220027

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
CA2 P00918 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
ANO1 Q5XXA6 1/20 0.30
DPP4 P27487 1/20 0.30

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 0.78 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL8097337 0.74 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL8097402 0.73 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL7220925 0.70 POLB (0.36) SMN1; SMN2LMNAKMT2ADPP4
SCHEMBL10473214 0.69 ALDH1A1 (0.44) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL10473212 0.69 ALDH1A1 (0.44) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL24965898 0.68 CA2 (0.36) SMN1; SMN2CA2ALDH1A1KMT2A
SCHEMBL27028717 0.68 CA2 (0.36) SMN1; SMN2CA2ALDH1A1KMT2A
SCHEMBL11256255 0.68 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL7478228 0.68 CA2 (0.43) SMN1; SMN2CA2ALDH1A1KMT2A

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