SCHEMBL9639798

SCHEMBL9639798

CN(C)C(=O)C=CC=Cc1cccnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NFE2L2 Q16236 12/20 0.42
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.37
CAPN1 P07384 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL581279 0.90 NPC1 (0.45) NPC1L3MBTL1NFE2L2LMNASMN1; SMN2
SCHEMBL9756997 0.73 LMNA (0.50) NPC1L3MBTL1NFE2L2LMNASMN1; SMN2
SCHEMBL9756994 0.73 LMNA (0.50) NPC1L3MBTL1NFE2L2LMNASMN1; SMN2
SCHEMBL15758324 0.72 NPC1 (0.54) NPC1L3MBTL1NFE2L2LMNASMN1; SMN2
SCHEMBL4912952 0.72 NFE2L2 (0.48) NFE2L2
SCHEMBL15765203 0.72 NPC1 (0.54) NPC1L3MBTL1NFE2L2LMNASMN1; SMN2
SCHEMBL29940285 0.69 CA12 (0.47) NPC1L3MBTL1NFE2L2LMNASMN1; SMN2
SCHEMBL2882462 0.69 CA12 (0.47) NPC1L3MBTL1NFE2L2LMNASMN1; SMN2
SCHEMBL2882460 0.69 CA12 (0.47) NPC1L3MBTL1NFE2L2LMNASMN1; SMN2
SCHEMBL2641810 0.69 SNCA (0.48) NPC1NFE2L2LMNASMN1; SMN2RAB9A

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
US-5107057-A Reacting protected 1,3-dialdehyde and a cyano-diene; halogenation, cyclization E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-21 US disclosed