SCHEMBL21620313

SCHEMBL21620313

Cc1cccc(NC(=O)c2ccc(F)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.78
KMT2A Q03164 7/20 0.78
KCNK3 O14649 6/20 0.71
KCNK9 Q9NPC2 4/20 0.71
RXFP1 Q9HBX9 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.68
RAB9A P51151 2/20 0.68
NPC1 O15118 1/20 0.68
TP53 P04637 1/20 0.68
NFKB1 P19838 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
KCNH2 Q12809 1/20 0.66
POLB P06746 1/20 0.65
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.62
HPGD P15428 1/20 0.62
LMNA P02545 1/20 0.62
TSHR P16473 1/20 0.62
MAPT P10636 1/20 0.62

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
SCHEMBL259706 0.88 MEN1 (0.77) MEN1KMT2AKCNK3KCNK9RXFP1
SCHEMBL2358354 0.88 MEN1 (1.00) MEN1KMT2AKCNK3KCNK9SMN1; SMN2
SCHEMBL12764067 0.86 KCNK3 (0.91) MEN1KMT2AKCNK3KCNK9RXFP1
SCHEMBL8461683 0.85 MEN1 (0.73) MEN1KMT2AKCNK3KCNK9RXFP1
SCHEMBL14363224 0.85 MEN1 (0.73) MEN1KMT2AKCNK3KCNK9RXFP1
SCHEMBL29434800 0.85 KCNK3 (0.87) MEN1KMT2AKCNK3KCNK9RXFP1
SCHEMBL259468 0.85 KCNK3 (0.87) MEN1KMT2AKCNK3KCNK9RXFP1
SCHEMBL12218322 0.85 SCN10A (0.65) MEN1KMT2AKCNK3KCNK9SMN1; SMN2
SCHEMBL2908619 0.84 MEN1 (0.89) MEN1KMT2AKCNK3KCNK9RXFP1
SCHEMBL12764058 0.84 MEN1 (0.79) MEN1KMT2AKCNK3KCNK9RXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3395795-B1 MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2023-07-19 EP disclosed
EP-3822253-A1 METHOD FOR PREPARING PROPANEDINITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2021-05-19 EP disclosed
WO-2020010988-A1 METHOD FOR PREPARING PROPANEDINITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND 沈阳中化农药化工研发有限公司 2020-01-16 WO disclosed