SCHEMBL30684153

SCHEMBL30684153

CC(C)Oc1cc(-c2cc(F)cc(C(C)C)c2N=C=O)ccn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
NLRP3 Q96P20 5/20 0.35
ACACB O00763 2/20 0.35
ACVR2A P27037 1/20 0.33
TGFBR2 P37173 1/20 0.33
METAP2 P50579 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL20743017 1.00 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14NLRP3
SCHEMBL30684090 0.90 NLRP3 (0.42) MAPK13MAPK12MAPK11MAPK14NLRP3
SCHEMBL20609769 0.90 NLRP3 (0.42) MAPK13MAPK12MAPK11MAPK14NLRP3
SCHEMBL30684162 0.81 MYC (0.36) NLRP3
SCHEMBL20609767 0.81 MYC (0.36) NLRP3
SCHEMBL29109512 0.81 NLRP3 (0.37) MAPK13MAPK12MAPK11MAPK14NLRP3
SCHEMBL20742969 0.79 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14NLRP3
SCHEMBL30684129 0.79 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14NLRP3
SCHEMBL25236267 0.79 NLRP3 (0.41) MAPK13MAPK12MAPK11MAPK14NLRP3
SCHEMBL30417670 0.79 NLRP3 (0.41) MAPK13MAPK12MAPK11MAPK14NLRP3

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
CN-111132974-B Sulfonamide carboxamide compounds 英夫拉索姆有限公司 2023-11-21 CN disclosed