SCHEMBL21133083

SCHEMBL21133083

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

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 7/20 0.86
▸ MEN1 O00255 6/20 0.71
▸ KMT2A Q03164 6/20 0.71
▸ RXFP1 Q9HBX9 1/20 0.71
▸ RAB9A P51151 5/20 0.68
▸ NPC1 O15118 4/20 0.68
▸ KCNK9 Q9NPC2 3/20 0.68
▸ SMN1; SMN2 Q16637 2/20 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
▸ ALDH1A1 P00352 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ KCNH2 Q12809 2/20 0.66
▸ POLB P06746 1/20 0.65
▸ TSHR P16473 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.59

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) KCNK3MEN1KMT2ARXFP1RAB9A
SCHEMBL14200525 0.87 KCNK3 (0.73) KCNK3MEN1KMT2ARXFP1RAB9A
SCHEMBL17620462 0.86 KCNK3 (0.91) KCNK3MEN1KMT2ARXFP1RAB9A
SCHEMBL8461683 0.85 MEN1 (0.73) KCNK3MEN1KMT2ARXFP1RAB9A
SCHEMBL14363224 0.85 MEN1 (0.73) KCNK3MEN1KMT2ARXFP1RAB9A
SCHEMBL259468 0.85 KCNK3 (0.87) KCNK3MEN1KMT2ARXFP1RAB9A
SCHEMBL29434800 0.85 KCNK3 (0.87) KCNK3MEN1KMT2ARXFP1RAB9A
SCHEMBL4255341 0.85 NPC1 (0.81) KCNK3MEN1KMT2ARAB9ANPC1
SCHEMBL2908619 0.84 MEN1 (0.89) KCNK3MEN1KMT2ARXFP1RAB9A
SCHEMBL8917241 0.84 MEN1 (0.71) KCNK3MEN1KMT2ARXFP1RAB9A

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 6 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
EP-3757179-A1 INK COMPOSITION FOR INKJET PRINTING, IMAGE FORMING METHOD, AND RECORDED MATERIAL Fujifilm Corporation (JP) 2020-12-30 — — EP disclosed
EP-3663293-A1 SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF Xiamen University (CN) 2020-06-10 — — 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
EP-3502198-A1 INK FOR INK JET RECORDING, INK JET RECORDING METHOD, INFRARED READING METHOD, AND PRINTED PRODUCT FUJIFILM Corporation (JP) 2019-06-26 — — EP disclosed
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