SCHEMBL30770679

SCHEMBL30770679

CC(C)(O)CNc1nnc(-c2ccc(C(C)(F)F)cc2O)c2ccncc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IL1B P01584 8/20 0.41
TNF P01375 2/20 0.39
NLRP3 Q96P20 4/20 0.37
KDR P35968 2/20 0.36
KCNH2 Q12809 1/20 0.36
PRKCH P24723 2/20 0.34
PRKCE Q02156 2/20 0.34
PRKCQ Q04759 2/20 0.34
PRKCD Q05655 2/20 0.34
PRKCB P05771 1/20 0.34
LATS1 O95835 3/20 0.33
IDH2 P48735 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
LATS2 Q9NRM7 1/20 0.32

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
SCHEMBL30181277 0.94 IL1B (0.46) IL1BTNFNLRP3KDRKCNH2
SCHEMBL27157420 0.94 IL1B (0.46) IL1BTNFNLRP3KDRKCNH2
SCHEMBL27157422 0.86 KDR (0.39) IL1BTNFNLRP3KDRPRKCH
SCHEMBL30770615 0.86 KDR (0.39) IL1BTNFNLRP3KDRPRKCH
SCHEMBL24379633 0.85 NLRP3 (0.40) IL1BNLRP3KDRPRKCHPRKCE
SCHEMBL27157384 0.85 IL1B (0.34) IL1BTNFNLRP3KDRPRKCH
SCHEMBL30180834 0.85 IL1B (0.41) IL1BTNFKDRPRKCHPRKCE
SCHEMBL24855503 0.85 IL1B (0.41) IL1BTNFKDRPRKCHPRKCE
SCHEMBL30770726 0.83 KDR (0.40) IL1BTNFNLRP3KDRPRKCH
SCHEMBL27157401 0.83 KDR (0.40) IL1BTNFNLRP3KDRPRKCH

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
EP-4331668-A2 COMPOUNDS FOR INHIBITING NLRP3 AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2024-03-06 EP disclosed