SCHEMBL28416682

SCHEMBL28416682

C=C=CCCNC(=O)c1nc2ccccc2nc1Sc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32

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
SCHEMBL28421991 0.89 KMT2A (0.37) L3MBTL1MEN1KMT2AHTTHDAC6
SCHEMBL28421990 0.81 RXFP1 (0.46) MEN1KMT2AHTTLMNAMAPT
SCHEMBL28416663 0.81 MEN1 (0.40) L3MBTL1MEN1KMT2AHTTHDAC6
SCHEMBL28416681 0.80 RXFP1 (0.43) HTTLMNAMAPTTP53
SCHEMBL28419925 0.80 SMN1; SMN2 (0.49) L3MBTL1SMN1; SMN2MAPTTP53
SCHEMBL28796059 0.77 KMT2A (0.41) L3MBTL1MEN1KMT2AHTTHDAC6
SCHEMBL28426850 0.77 ALDH1A1 (0.43) L3MBTL1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL29889909 0.72 MEN1 (0.46) MEN1KMT2AHTTHDAC6SMN1; SMN2
SCHEMBL28427552 0.69 TARBP2 (0.46) L3MBTL1MEN1KMT2AHTTHDAC6
SCHEMBL28419614 0.67 PIK3CD (0.40) L3MBTL1MEN1KMT2AHTTNPC1

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
CN-110981819-B Quinoxaline signal channel inhibitor and preparation method and application thereof 广西师范大学 2022-07-01 CN disclosed
CN-110981819-A Quinoxaline signal channel inhibitor and preparation method and application thereof 广西师范大学 2020-04-10 CN disclosed