SCHEMBL27283045

SCHEMBL27283045

C=CCCc1ccc(-c2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.38
NFKB1 P19838 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
IDH1 O75874 1/20 0.37
SRC P12931 1/20 0.36
HIF1A Q16665 5/20 0.36
MMP9 P14780 1/20 0.35
ACHE P22303 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
OPRD1 P41143 1/20 0.33

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
SCHEMBL6042308 0.77 HRH1 (0.52) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL27843023 0.77 HIF1A (0.49) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL6041956 0.77 NPC1 (0.47) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL18876359 0.77 NPC1 (0.44) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL10639413 0.74 FFAR1 (0.48) IDH1MMP9
SCHEMBL18534273 0.73
SCHEMBL14047227 0.72 MCHR1 (0.42) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL12723085 0.72 SRC (0.39) L3MBTL1NPC1NFKB1RAB9ANFKB2
SCHEMBL25304675 0.72 RAB9A (0.45) L3MBTL1NPC1NFKB1RAB9ANFKB2
SCHEMBL2554715 0.72 RAB9A (0.45) L3MBTL1NPC1NFKB1RAB9ANFKB2

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-2024096753-A1 NEK7 DEGRADERS AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2024-05-10 WO disclosed