SCHEMBL31318758

SCHEMBL31318758

COC(=O)c1cnc(C(=O)N(C)C)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.38
▸ TSHR P16473 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ RAF1 P04049 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PKM P14618 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
SCHEMBL31318735 0.83 KDM4E (0.50) MAPK1TSHRHTTKDM4EL3MBTL1
SCHEMBL18985912 0.78 ALDH1A1 (0.44) TSHRHTTLCKDYRK1ACYP1A2
SCHEMBL20475970 0.77 TSHR (0.42) MAPK1TSHRHTTKDM4EL3MBTL1
SCHEMBL19481006 0.76 TSHR (0.41) TSHRHTTKDM4EL3MBTL1OPRK1
SCHEMBL31149540 0.76 TSHR (0.41) TSHRHTTKDM4EL3MBTL1OPRK1
SCHEMBL29811736 0.75 MEN1 (0.45) TSHRHTTLCKDYRK1AABL1
SCHEMBL18361926 0.75 MEN1 (0.45) TSHRHTTLCKDYRK1AABL1
SCHEMBL25242637 0.74 GABRP (0.46) TSHRHTTKDM4EABL1CYP1A2
SCHEMBL31140711 0.74 GABRP (0.46) TSHRHTTKDM4EABL1CYP1A2
SCHEMBL30824189 0.74 KDM4E (0.42) MAPK1TSHRHTTKDM4EL3MBTL1

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
EP-4727540-A2 FUSED BICYCLIC HETEROCYCLIC OR HETERO ARYL AMIDE COMPOUNDS Quantx Biosciences US, Inc. (US) 2026-04-22 — — EP disclosed
WO-2024259233-A2 FUSED BICYCLIC HETEROCYCLIC OR HETERO ARYL AMIDE COMPOUNDS QUANTX BIOSCIENCES US, INC. (US) 2024-12-19 — — WO disclosed
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