SCHEMBL28690607

SCHEMBL28690607

CCC(=O)c1cc(OC(N)=O)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR3C2 P08235 2/20 0.35
LNPEP Q9UIQ6 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
P2RX3 P56373 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PARP10 Q53GL7 1/20 0.33
PLAU P00749 1/20 0.33
KDR P35968 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 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
SCHEMBL5678768 0.82 CCR1 (0.48) KMT2AMAPTKDM4ETDP1NR3C2
SCHEMBL29262259 0.82 MEN1 (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28292634 0.82 MEN1 (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28292592 0.78 KDR (0.53) MEN1KMT2AKDR
SCHEMBL28294351 0.78 MEN1 (0.44) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL15880806 0.78 CYP1A2 (0.50) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL168824 0.76 P2RX3 (0.45) P2RX3KDR
SCHEMBL27913654 0.76 ALDH1A1 (0.44) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL2642964 0.75 ALDH1A1 (0.40) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL15880687 0.75 KMT2A (0.52) MEN1KMT2AKDM4EPLAU

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-114008025-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-02-01 CN disclosed