SCHEMBL27445292

SCHEMBL27445292

O=[N+]([O-])c1cc(CN2CCCc3ccccc32)c2c(c1)NC(O)C(O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ATM Q13315 1/20 0.40
POLB P06746 3/20 0.40
HTT P42858 3/20 0.40
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 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
SCHEMBL27463409 0.83 KMT2A (0.36) MAPK1L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL27462472 0.82 MAPK1 (0.43) MAPK1L3MBTL1TDP1MAPTSMN1; SMN2
SCHEMBL27504042 0.78 LMNA (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL27463407 0.78 LMNA (0.44) L3MBTL1TDP1MAPTSMN1; SMN2ALDH1A1
SCHEMBL27445303 0.77 LMNA (0.44) L3MBTL1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL27462956 0.77 LMNA (0.44) L3MBTL1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL27501667 0.75 LMNA (0.42) SMN1; SMN2ALDH1A1KMT2AKDM4ELMNA
SCHEMBL27501665 0.73 LMNA (0.43) TDP1MAPTSMN1; SMN2ALDH1A1KMT2A
Bromide SCHEMBL8087035 0.73 KDM4E (0.44) ALDH1A1KMT2AMEN1NPSR1KDM4E
SCHEMBL27462962 0.73 LMNA (0.39) SMN1; SMN2ALDH1A1KDM4EPOLBHTT

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-1137886-C 2,3-dioxo-1,2,3,4-tetrahydro-quinoyxalinyl derivatives ��˹��ŵ�� 2004-02-11 CN disclosed
CN-1193968-A 2,3-dioxo-1,2,3,4-tetrahydro-quinoyxalinyl derivatives NOVARTIS AG (CH) 1998-09-23 CN disclosed