SCHEMBL22822784

SCHEMBL22822784

CCCN(CCC)CCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.58
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ PAX8 Q06710 4/20 0.53
▸ STING1 Q86WV6 1/20 0.52
▸ MAPT P10636 6/20 0.51
▸ LMNA P02545 5/20 0.51
▸ HTT P42858 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MITF O75030 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ RAC1 P63000 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ POLB P06746 2/20 0.46

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
SCHEMBL25006066 0.89 JAK2 (0.61) JAK2MEN1KMT2APAX8STING1
SCHEMBL25005417 0.86 JAK2 (0.67) JAK2MEN1KMT2APAX8STING1
SCHEMBL25005574 0.81 JAK2 (0.64) JAK2MEN1KMT2APAX8STING1
SCHEMBL24291456 0.81 LMNA (0.71) JAK2MEN1KMT2APAX8MAPT
SCHEMBL22822605 0.80 JAK2 (0.72) JAK2MEN1KMT2APAX8STING1
SCHEMBL29462179 0.80 JAK2 (0.72) JAK2MEN1KMT2APAX8STING1
SCHEMBL22804228 0.80 JAK2 (0.75) JAK2MEN1KMT2APAX8MAPT
SCHEMBL22804227 0.78 JAK2 (0.69) JAK2MEN1KMT2APAX8STING1
SCHEMBL24291403 0.78 JAK2 (0.68) JAK2MEN1KMT2APAX8STING1
SCHEMBL25005925 0.77 EPHX2 (0.63) JAK2MEN1KMT2APAX8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020253802-A1 DIARYLAMIDE COMPOUND AND APPLICATION THEREOF 北京大学 2020-12-24 — — WO disclosed
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