SCHEMBL31034978

SCHEMBL31034978

CC1(C)OB(c2ccc(OC(F)F)cc2O)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ HIF1A Q16665 5/20 0.36
▸ PTGER4 P35408 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ UCHL1 P09936 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CXCR2 P25025 1/20 0.32
▸ LIPE Q05469 4/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ LPL P06858 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL16036628 0.84 LPL (0.35) CA1CA2CA9ALOX15GFER
SCHEMBL29556208 0.84 LPL (0.35) CA1CA2CA9ALOX15GFER
SCHEMBL25367719 0.84 MEN1 (0.36) CA1CA2CA9ALOX15GFER
SCHEMBL25436535 0.84 LMNA (0.36) CA1CA2CA9HIF1APTGER4
SCHEMBL28961843 0.82 CXCR2 (0.42) CA1CA2CA9HIF1AUCHL1
SCHEMBL31114631 0.82 CXCR2 (0.42) CA1CA2CA9HIF1AUCHL1
SCHEMBL26117053 0.81 NPC1 (0.42) CA1CA2CA9HIF1AALOX15
SCHEMBL31200582 0.81 NPC1 (0.42) CA1CA2CA9HIF1AALOX15
SCHEMBL27171762 0.81 MEN1 (0.36) CA1CA2CA9UCHL1MAPT
SCHEMBL16382848 0.81 LPL (0.35) CA1CA2CA9HIF1AUCHL1

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-4658654-A1 PYRROLO[1,2-D][1,2,4]TRIAZINES AND PYRAZOLO[1,5-D] [1,2,4]TRIAZINES AS NLRP3 INHIBITORS Janssen Pharmaceutica NV (BE) 2025-12-10 — — EP disclosed
WO-2024160691-A1 PYRROLO[1,2-d][1,2,4]TRIAZINES AND PYRAZOLO[1,5-d] [1,2,4]TRIAZINES AS NLRP3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-08-08 — — WO disclosed
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