SCHEMBL30865839

SCHEMBL30865839

CCC(=O)Nc1ccc(-c2ccncc2)c(CN2CCC(N3CCOCC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 2/20 0.47
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
CDK19 Q9BWU1 2/20 0.43
ITK Q08881 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
FTO Q9C0B1 1/20 0.40
RAB9A P51151 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GSPT1 P15170 1/20 0.39
CRBN Q96SW2 1/20 0.39

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
SCHEMBL30865830 0.80 MOK (0.63) MOKCNR2TRPV1RAB9AALDH1A1
SCHEMBL30865848 0.74 RAB9A (0.44) AAK1MKNK2RAB9AKDM4EALDH1A1
SCHEMBL23214090 0.67 GSPT1 (0.53) CNR2CNR1HRH3KDM4EALDH1A1
SCHEMBL14206965 0.65 CNR2 (0.72) CNR2CNR1FTO
SCHEMBL19475600 0.64 MOK (1.00) MOK
SCHEMBL11181809 0.64 TP53 (0.58) AAK1RAB9AKDM4EALDH1A1HPGD
SCHEMBL23240214 0.62 GSPT1 (0.49) CNR2CNR1TRPV1HRH3KDM4E
SCHEMBL29716298 0.62 GSPT1 (0.49) CNR2CNR1TRPV1HRH3KDM4E
SCHEMBL22500270 0.62 POLB (0.76) CNR1RAB9AALDH1A1
SCHEMBL31053446 0.61 NPC1 (0.56) RAB9AALDH1A1HPGD

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-117917402-A Isoindolylamide compound, and pharmaceutical composition and application thereof 暨南大学 2024-04-23 CN disclosed