SCHEMBL21443588

SCHEMBL21443588

CNCCC(=O)/C=C/CN(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL24599195 0.79 LMNA (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6914565 0.78 IAPP (0.40)
SCHEMBL23140064 0.76 ALDH1A1 (0.42)
SCHEMBL12313007 0.74 PPARG (0.47)
SCHEMBL18431573 0.73 CA1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27439650 0.73 TDP1 (0.33)
SCHEMBL9004542 0.73
SCHEMBL25933327 0.73
SCHEMBL9069836 0.73 ALDH1A1 (0.39)
SCHEMBL24599174 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 EP disclosed
EP-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 EP disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed