SCHEMBL28678807

SCHEMBL28678807

CCn1c(=O)c(C(=O)O)c(O)c2c(Br)cccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
KDM4E B2RXH2 10/20 0.46
ALDH1A1 P00352 3/20 0.44
HTT P42858 3/20 0.44
FEN1 P39748 1/20 0.44
RCE1 Q9Y256 1/20 0.43
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL30884503 0.86 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL28676384 0.84 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL15936261 0.83 MEN1 (0.51) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL7600994 0.83 KMT2A (0.47) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7753691 0.78 AGTR1 (0.42) MEN1KMT2AKDM4EALDH1A1FEN1
SCHEMBL7435419 0.77 KDM4E (0.72) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL24054706 0.74 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL28036700 0.74 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL29463790 0.73 ALDH1A1 (0.45) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL17713228 0.73 ALDH1A1 (0.45) MEN1KMT2AKDM4EALDH1A1HTT

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-110041306-B 4-hydroxy-2-quinolone-N- (4-quinazolinone) -3-carboxamide derivatives 中国医学科学院药物研究所 2022-01-11 CN disclosed