SCHEMBL30451187

SCHEMBL30451187

CC(C)c1nn(CC(=O)N[C@@H]2CCCN(C3CC3)C2)c(=O)c2ccc(Br)cc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.55
KMT2A Q03164 1/20 0.39
CHRNA7 P36544 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36

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
SCHEMBL26732432 1.00 NLRP3 (0.55) NLRP3KMT2ACHRNA7RAB9AKDM4E
SCHEMBL24077283 1.00 NLRP3 (0.55) NLRP3KMT2ACHRNA7RAB9AKDM4E
SCHEMBL24077225 1.00 NLRP3 (0.55) NLRP3KMT2ACHRNA7RAB9AKDM4E
SCHEMBL26732250 0.97 NLRP3 (0.59) NLRP3KMT2ACHRNA7RAB9A
SCHEMBL25746344 0.90 NLRP3 (0.56) NLRP3KMT2ACHRNA7RAB9A
SCHEMBL26732289 0.88 NLRP3 (0.61) NLRP3KMT2ACHRNA7RAB9AKDM4E
SCHEMBL24076301 0.88 NLRP3 (0.54) NLRP3KMT2ACHRNA7RAB9A
SCHEMBL29426532 0.88 NLRP3 (0.54) NLRP3KMT2ACHRNA7RAB9A
SCHEMBL25746454 0.88 NLRP3 (0.54) NLRP3KMT2ACHRNA7RAB9A
SCHEMBL25751191 0.88 NLRP3 (0.54) NLRP3KMT2ACHRNA7RAB9A

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-116261456-A Compounds, compositions, and methods 戴纳立制药公司 2023-06-13 CN disclosed