SCHEMBL26436149

SCHEMBL26436149

Cc1cc(C)c(-c2nnc(NC3CCCN(C)C3)c3cccnc23)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 12/20 0.62
IL1B P01584 12/20 0.57
KAT2B Q92831 1/20 0.41

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
SCHEMBL26435319 0.93 NLRP3 (0.60) NLRP3IL1BKAT2B
SCHEMBL26436165 0.92 NLRP3 (0.56) NLRP3IL1B
SCHEMBL24840758 0.88 NLRP3 (0.73) NLRP3IL1BKAT2B
SCHEMBL26434876 0.88 NLRP3 (0.73) NLRP3IL1BKAT2B
SCHEMBL30168047 0.88 NLRP3 (0.73) NLRP3IL1BKAT2B
SCHEMBL30108753 0.87 NLRP3 (0.69) NLRP3IL1BKAT2B
SCHEMBL26436026 0.87 NLRP3 (0.69) NLRP3IL1BKAT2B
SCHEMBL26436163 0.86 NLRP3 (0.46) NLRP3IL1B
SCHEMBL26436158 0.86 NLRP3 (0.46) NLRP3IL1B
SCHEMBL26436159 0.86 NLRP3 (0.46) NLRP3IL1B

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