SCHEMBL26434712

SCHEMBL26434712

Cc1cc(C(F)(F)F)cc(O)c1-c1ncc(NC2CCCCC2O)nn1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1B P01584 19/20 0.67
TNF P01375 3/20 0.67
NLRP3 Q96P20 5/20 0.49
KCNH2 Q12809 1/20 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
SCHEMBL26093850 1.00 IL1B (0.67) IL1BTNFNLRP3KCNH2
SCHEMBL26434718 0.87 IL1B (0.49) IL1BTNFNLRP3KCNH2
SCHEMBL26091725 0.87 IL1B (0.49) IL1BTNFNLRP3KCNH2
SCHEMBL26434714 0.87 IL1B (0.49) IL1BTNFNLRP3KCNH2
SCHEMBL30374753 0.87 IL1B (0.49) IL1BTNFNLRP3KCNH2
SCHEMBL26434713 0.82 IL1B (0.57) IL1BTNFNLRP3
SCHEMBL26093867 0.82 IL1B (0.71) IL1BTNFNLRP3KCNH2
SCHEMBL22654889 0.80 IL1B (1.00) IL1BTNFNLRP3
SCHEMBL22654887 0.80 IL1B (1.00) IL1BTNFNLRP3
SCHEMBL22655183 0.80 IL1B (1.00) IL1BTNFNLRP3

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