SCHEMBL29495486

SCHEMBL29495486

NC12CC(NC(=O)c3cnn(-c4ccc(Cl)c(F)c4)c3)(C1)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.37
▸ KCNQ2 O43526 2/20 0.37
▸ KCNE1 P15382 2/20 0.37
▸ KCNQ1 P51787 2/20 0.37
▸ KCNQ5 Q9NR82 1/20 0.37
▸ MLLT3 P42568 1/20 0.37
▸ MLLT1 Q03111 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34

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
SCHEMBL22617353 1.00 KCNQ3 (0.37) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL22617462 0.89 NR1H4 (0.38) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL29495497 0.83 DPP8 (0.36) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL22617296 0.79 HPGDS (0.55) MLLT3MLLT1NR1H4NPC1MAPT
SCHEMBL22617318 0.77 GCGR (0.41) HSD11B1
SCHEMBL27019009 0.77 ATF4 (0.44) MLLT3MLLT1NR1H4NPC1MAPT
SCHEMBL29540588 0.76 HPGDS (0.56) EGLN1
SCHEMBL22617402 0.76 HPGDS (0.56) EGLN1
SCHEMBL24043473 0.75 ATF4 (0.33) NR1H4NPC1MAPTNFKB1RAB9A
SCHEMBL22617387 0.75 ATF4 (0.33) NR1H4NPC1MAPTNFKB1RAB9A

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
EP-3962899-A1 SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2022-03-09 — — EP disclosed
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