SCHEMBL26436141

SCHEMBL26436141

Cc1cc(C(F)(F)F)cc(O)c1-c1nnc(NC2CC(O)C2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 20/20 0.52
TNF P01375 5/20 0.49

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
SCHEMBL26435636 0.87 IL1B (0.48) IL1BTNF
SCHEMBL26434879 0.87 NLRP3 (0.46) IL1BTNF
SCHEMBL26435053 0.86 NLRP3 (0.41) IL1BTNF
SCHEMBL26436142 0.86 IL1B (0.67) IL1BTNF
SCHEMBL24574789 0.86 IL1B (0.67) IL1BTNF
SCHEMBL24855947 0.84 NLRP3 (0.49) IL1BTNF
SCHEMBL29180708 0.84 NLRP3 (0.49) IL1BTNF
SCHEMBL24855485 0.84 NLRP3 (0.49) IL1BTNF
SCHEMBL26436140 0.83 NLRP3 (0.62) IL1BTNF
SCHEMBL26436523 0.82 NLRP3 (0.48) IL1BTNF

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-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed