SCHEMBL29538871

SCHEMBL29538871

CN1CCN(C(=O)C[C@@H]2c3cc4c(cc3C(=O)N2c2ccccc2)CCC4)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
ADAM10 O14672 1/20 0.38
ERBB2 P04626 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CACNA1G O43497 1/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM1A O60341 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 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
SCHEMBL13775392 0.89 ATM (0.40) KMT2AMMP2SMN1; SMN2KDM1ACYP2C9
SCHEMBL4109152 0.77 SMN1; SMN2 (0.42) KMT2AMEN1SMN1; SMN2KDM1ACYP1A2
SCHEMBL4128092 0.77 ADAMTS5 (0.39) KMT2AMMP2SMN1; SMN2KDM1ACYP2C9
SCHEMBL10553572 0.75 ALDH1A1 (0.47) KMT2AMEN1KDM4EHSD17B10CACNA1G
SCHEMBL4917700 0.74 HTR6 (0.36) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL10550805 0.74 KMT2A (0.54) KMT2AMEN1KDM4EHSD17B10GAA
SCHEMBL10556187 0.72 MAPT (0.45) KMT2AKDM4EHSD17B10SMN1; SMN2CYP3A4
SCHEMBL13089996 0.70 CBX7 (0.47) KMT2AMEN1KDM4ECYP2C9ALDH1A1
Oxalic Acid SCHEMBL10558687 0.69 KDM4E (0.48) KMT2AMEN1KDM4EHSD17B10GAA
SCHEMBL10561025 0.68 RAB9A (0.53) KMT2AMEN1HSD17B10GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114394926-B High-yield synthesis method of N, 3-disubstituted-1-isoindolinone compound 大连大学 2023-06-27 CN disclosed
CN-114394926-A High-yield synthesis method of N, 3-disubstituted-1-isoindolinone compounds 大连大学 2022-04-26 CN disclosed