SCHEMBL30213879

SCHEMBL30213879

CN1CCC[C@@H](Nc2nncc3ccccc23)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 6/20 0.57
NLRP3 Q96P20 3/20 0.54
CHEK2 O96017 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
CCNT1 O60563 1/20 0.45
CCNK O75909 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
GOT1 P17174 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MPO P05164 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL30214209 0.85 KAT2B (0.46) KAT2BNLRP3EGFRCHEK1BPTF
SCHEMBL30101084 0.84 NLRP3 (0.54) KAT2BNLRP3EGFRBPTF
SCHEMBL30101116 0.84 NLRP3 (0.54) KAT2BNLRP3EGFRBPTF
SCHEMBL29131917 0.84 CAMK2D (0.47) KAT2BNLRP3KDM4EHSD17B10LMNA
SCHEMBL30101129 0.83 NLRP3 (0.55) KAT2BNLRP3CHEK2KDM4EHSD17B10
SCHEMBL30101066 0.82 KAT2B (0.46) KAT2BNLRP3EGFRBPTF
SCHEMBL30101025 0.80 IL1B (0.44) KAT2BNLRP3KDM4EHSD17B10LMNA
SCHEMBL24574981 0.79 KAT2B (0.61) KAT2BNLRP3CHEK2KDM4EHSD17B10
SCHEMBL30038747 0.79 KAT2B (0.61) KAT2BNLRP3CHEK2KDM4EHSD17B10
SCHEMBL26110981 0.79 KAT2B (0.61) KAT2BNLRP3CHEK2KDM4EHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392414-A1 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-07-03 EP claimed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 WO claimed
EP-4392414-A1 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-07-03 EP disclosed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed