SCHEMBL28522895

SCHEMBL28522895

CN(C)C(=O)c1cccc2cnoc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
KEAP1 Q14145 1/20 0.40
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
RAB9A P51151 2/20 0.38
CXCR2 P25025 4/20 0.34
CXCR1 P25024 2/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATR Q13535 1/20 0.34
CSF1R P07333 1/20 0.33
HTR2C P28335 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL944788 0.78 PLK4 (0.47) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL31605561 0.77 LMNA (0.43) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL944352 0.69 BCAT2 (0.48) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL10407111 0.68 NR4A1 (0.59) MEN1KMT2ASMN1; SMN2POLBKEAP1
SCHEMBL8572688 0.68 LMNA (0.45) MEN1KMT2ASMN1; SMN2KEAP1KDM4E
Ethane SCHEMBL9369863 0.68 KDM4E (0.38) MEN1KMT2AKDM4EALDH1A1
SCHEMBL29712599 0.68 PLK4 (0.64) MEN1KMT2ASMN1; SMN2KEAP1KDM4E
SCHEMBL18937563 0.68 PLK4 (0.64) MEN1KMT2ASMN1; SMN2KEAP1KDM4E
SCHEMBL4098341 0.68 PKN1 (0.50) MEN1KMT2ASMN1; SMN2POLBKEAP1
SCHEMBL188296 0.68 MEN1 (0.65) MEN1KMT2ASMN1; SMN2POLBKEAP1

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-112334466-A Compound (I) CTXT私人有限公司 2021-02-05 CN disclosed