SCHEMBL24257400

SCHEMBL24257400

CC(=N)Cn1nc(C(C)C)c2cc(Br)ccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 4/20 0.60
▸ PSMB1 P20618 2/20 0.38
▸ PSMB5 P28074 2/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ DHODH Q02127 2/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 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
SCHEMBL24076314 0.87 NLRP3 (0.65) NLRP3PSMB1PSMB5MCL1AKR1B1
SCHEMBL24077236 0.85 NLRP3 (0.62) NLRP3PSMB1PSMB5MCL1DPP4
SCHEMBL26732673 0.83 NLRP3 (0.63) NLRP3PSMB1PSMB5MCL1
SCHEMBL30450964 0.83 NLRP3 (0.63) NLRP3PSMB1PSMB5MCL1
SCHEMBL24076245 0.81 NLRP3 (0.58) NLRP3MCL1TYRO3LMNAALDH1A1
SCHEMBL26630496 0.78 NLRP3 (0.80) NLRP3ALOX15LMNAUSP2ALDH1A1
SCHEMBL26732289 0.77 NLRP3 (0.61) NLRP3LMNAALDH1A1
SCHEMBL24257395 0.77 NLRP3 (0.69) NLRP3ALOX15LMNAUSP2ALDH1A1
SCHEMBL26630506 0.77 NLRP3 (0.61) NLRP3LMNAHPGD
SCHEMBL26630501 0.77 NLRP3 (0.67) NLRP3PSMB1PSMB5ALOX15LMNA

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-2022036204-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2022-02-17 — — WO disclosed
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