SCHEMBL31128281

SCHEMBL31128281

Cc1nc(O)c(Br)cc1C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 2/20 0.45
▸ NQO2 P16083 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ PRNP P04156 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL31128305 0.93 PSMB5 (0.37) PSMB5NQO2LMNAPRNPHPGD
SCHEMBL31128380 0.82 PSMB5 (0.47) PSMB5PDE10ASCN10A
SCHEMBL31128208 0.79 PSMB5 (0.45) PSMB5KDM4EMEN1MAPTKMT2A
SCHEMBL31128334 0.74 PSMB5 (0.39) PSMB5LMNAHPGD
SCHEMBL31128288 0.71 PSMB5 (0.37) PSMB5KMT2ALMNAHTTPIK3CA
SCHEMBL1201473 0.71 NQO2 (0.48) NQO2KDM4EMAPTLMNAPRNP
SCHEMBL30186062 0.69 NQO2 (0.42) NQO2KDM4EMAPTLMNAPRNP
SCHEMBL15195556 0.69 NQO2 (0.42) NQO2KDM4EMAPTLMNAPRNP
SCHEMBL16905120 0.68 KDM4E (0.35) PSMB5KDM4EMEN1MAPTKMT2A
SCHEMBL31128303 0.66 NQO2 (0.39) NQO2LMNAPRNPHPGDHTT

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-2024166131-A1 HETEROARYL COMPOUNDS AS PKMYT1 INHIBITORS SATYARX PHARMA INNOVATIONS PRIVATE LIMITED (IN) 2024-08-15 — — WO disclosed
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