SCHEMBL29494686

SCHEMBL29494686

CCn1nc(CCO)c(=O)c2ccc(C3CC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ ACSS2 Q9NR19 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ RBP4 P02753 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NR1D1 P20393 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ FABP4 P15090 1/20 0.31
▸ HDAC1 Q13547 2/20 0.31

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
SCHEMBL25354173 0.84 NR1D1 (0.34) MAT2AKDM4EALDH1A1LMNATSHR
SCHEMBL25357731 0.81 MAPT (0.44) MAT2AKDM4EALDH1A1LMNATSHR
SCHEMBL29494681 0.80 NLRP3 (0.39) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL25360067 0.78 SLC22A12 (0.39) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL25356856 0.78 RECQL (0.37) MAT2AKDM4EALDH1A1LMNATSHR
SCHEMBL24077198 0.71 ALOX15 (0.44) MAT2AADORA2APRMT5WDR77MAPT
SCHEMBL25355877 0.70 NLRP3 (0.38) MAT2AACSS2RBP4NR1D1PDE2A
SCHEMBL24076917 0.65 ALOX15 (0.62) TSHRMAPTFABP4
SCHEMBL25354967 0.64 ADORA2A (0.33) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL25356861 0.64 NLRP3 (0.57) LMNAPDE2APTGER3

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
EP-3974415-A1 NLRP3 MODULATORS Janssen Pharmaceutica NV (BE) 2022-03-30 — — EP disclosed
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