SCHEMBL31417736

SCHEMBL31417736

CC(C)(C)OC(=O)NC1CN(c2cc(F)c(Br)c3ccoc23)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.37
▸ KDM4D Q6B0I6 4/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ SUV39H2 Q9H5I1 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ AURKA O14965 4/20 0.34
▸ PDPK1 O15530 4/20 0.34
▸ AURKB Q96GD4 4/20 0.34
▸ GAA P10253 1/20 0.34
▸ TRPV1 Q8NER1 2/20 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
SCHEMBL31417630 0.79 DDB1 (0.39) NLRP3KDM4DEPHX2F10PIM1
SCHEMBL28681203 0.77 AAK1 (0.42) NLRP3USP30KDM4DEPHX2F10
SCHEMBL31417807 0.74 RORC (0.38) NLRP3PDE10A
SCHEMBL18228108 0.69 EPHX2 (0.43) EPHX2PIM1PIM3PIM2SUV39H2
SCHEMBL31653702 0.69 CKS1B (0.47) USP30KDM4DF10PIM1PIM3
SCHEMBL29840412 0.68 NPC1 (0.44) EPHX2PIM1PIM3PIM2SUV39H2
SCHEMBL25819588 0.68 USP30 (0.43) USP30KDM4DF10PIM1PIM3
SCHEMBL30965651 0.68 USP30 (0.43) USP30KDM4DF10PIM1PIM3
SCHEMBL29653231 0.68 PDE10A (0.43) NLRP3KDM4DEPHX2PIM1PIM3
SCHEMBL31417685 0.67 HTR2C (0.33) —

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-2025016457-A1 NEW SUBSTITUTED HETEROCYCLIC COMPOUND AS GSPTS/MYC SIGNAL FLUX REGULATOR 杭州德睿智药科技有限公司 2025-01-23 — — WO disclosed
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