SCHEMBL7215966

SCHEMBL7215966

CC(C)C(C)(C#N)NC(=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
CTSS P25774 2/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 3/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CNR2 P34972 3/20 0.44
CNR1 P21554 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CTSK P43235 1/20 0.43
P2RX7 Q99572 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL8102678 0.92 ALDH1A1 (0.52) KMT2AHPGDALDH1A1KDM4ELMNA
SCHEMBL7220666 0.86 L3MBTL1 (0.57) KMT2AHPGDALDH1A1LMNAMEN1
SCHEMBL8621979 0.84 RIOK2 (0.46) KMT2AHPGDALDH1A1KDM4ELMNA
SCHEMBL7219751 0.83 HTT (0.54) KMT2AALDH1A1KDM4ELMNAMEN1
SCHEMBL7213607 0.77 POLB (0.49) KMT2AHPGDALDH1A1KDM4ELMNA
SCHEMBL10986259 0.76 MEN1 (0.59) KMT2AHPGDALDH1A1LMNAMEN1
SCHEMBL8862625 0.75 ANO1 (0.42) KMT2AHPGDALDH1A1KDM4ELMNA
SCHEMBL14609698 0.75 ANO1 (0.42) KMT2AHPGDALDH1A1KDM4ELMNA
SCHEMBL8650988 0.73 ANO1 (0.46) KMT2AHPGDALDH1A1KDM4ELMNA
SCHEMBL9828810 0.73 SHMT1 (0.61) KMT2AHPGDALDH1A1MEN1HDAC8

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