SCHEMBL7213607

SCHEMBL7213607

CC(C)C(C)(C#N)NC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
CTSL P07711 4/20 0.48
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.44
CTSS P25774 4/20 0.43
CTSK P43235 4/20 0.43
CTSB P07858 1/20 0.43
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HDAC3 O15379 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
IDO1 P14902 1/20 0.40
ALOX15 P16050 1/20 0.40
HDAC1 Q13547 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL7220101 0.86 HPGD (0.46) SMN1; SMN2LMNAKMT2AALDH1A1HPGD
SCHEMBL7214349 0.84 POLB (0.47) POLBSMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL9602976 0.83 KMT2A (0.45) POLBLMNAKMT2AKDM4EALDH1A1
SCHEMBL7213853 0.82 MAPT (0.50) CYP2C9SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL4967949 0.80 CTSL (0.59) POLBCTSLCYP2C9SMN1; SMN2EPHX1
SCHEMBL24571837 0.78 POLB (0.56) POLBCYP2C9SMN1; SMN2EPHX1LMNA
SCHEMBL13994623 0.78 POLB (0.56) POLBCYP2C9SMN1; SMN2EPHX1LMNA
SCHEMBL7215966 0.77 KMT2A (0.46) POLBCTSLSMN1; SMN2CTSSCTSK
SCHEMBL16376235 0.74 POLB (0.53) POLBCTSLCYP2C9SMN1; SMN2EPHX1
SCHEMBL1233442 0.73 POLB (0.59) POLBCYP2C9SMN1; SMN2EPHX1LMNA

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