SCHEMBL3825928

SCHEMBL3825928

NC(=O)C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM3 P20309 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 1/20 0.36
LMNA P02545 2/20 0.36
KCNN4 O15554 5/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CYP1A2 P05177 1/20 0.34
KIF11 P52732 3/20 0.34
HTT P42858 1/20 0.34
SIRT1 Q96EB6 1/20 0.34

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
SCHEMBL4047414 0.85 CHRM2 (0.38) MAPTKMT2ACHRM3CHRM2CHRM1
SCHEMBL991996 0.85 CHRM2 (0.38) MAPTKMT2ACHRM3CHRM2CHRM1
SCHEMBL23274047 0.85 CHRM2 (0.38) MAPTKMT2ACHRM3CHRM2CHRM1
SCHEMBL23415469 0.84 CHRM2 (0.37) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL23415565 0.84 CHRM2 (0.37) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL23415467 0.84 CHRM2 (0.37) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL25897057 0.82 CHRM3 (0.36) MAPTKMT2ACHRM3CHRM2CHRM1
SCHEMBL3825923 0.82 CHRM3 (0.36) MAPTKMT2ACHRM3CHRM2CHRM1
Lithium Ion SCHEMBL29888438 0.81 CHRM3 (0.35) MAPTKMT2ACHRM3CHRM2CHRM1
SCHEMBL30537611 0.81 CHRM3 (0.35) MAPTKMT2ACHRM3CHRM2CHRM1

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
CN-114980976-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2022-08-30 CN disclosed
EP-2099747-A1 RADIOLABELLING VIA FLUORINATION OF AZIRIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-16 EP disclosed
WO-2008083729-A1 RADIOLABELLING VIA FLUORINATION OF AZIRIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-17 WO disclosed
EP-1944288-A1 Radiolabelling via fluorination of aziridines Bayer Schering Pharma Aktiengesellschaft (DE) 2008-07-16 EP disclosed