SCHEMBL9731190

SCHEMBL9731190

C=C(NC=O)c1cccc2nc(O)ccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.32
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
MMP14 P50281 1/20 0.31
GFER P55789 1/20 0.31
ERN1 O75460 1/20 0.31
ALDH1A1 P00352 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9730823 0.82 AKR1C3 (0.39) POLBKMT2AKDM4EMEN1LMNA
SCHEMBL9731139 0.78 NSD2 (0.48) POLBMAPTMAPK1KMT2AKDM4E
SCHEMBL9731562 0.78 PARP1 (0.36) KMT2AKDM4ELMNAERN1ALDH1A1
SCHEMBL9731760 0.74 ERN1 (0.37) MAPTMAPK1KMT2AKDM4EMEN1
SCHEMBL31466752 0.74 NR4A1 (0.52) POLBKMT2AKDM4EMEN1LMNA
SCHEMBL17433761 0.74 NR4A1 (0.52) POLBKMT2AKDM4EMEN1LMNA
SCHEMBL9730984 0.73 KMT2A (0.33) POLBMAPTMAPK1KMT2AKDM4E
SCHEMBL9732624 0.73 PTPN1 (0.46) POLBMAPTMAPK1KMT2AKDM4E
SCHEMBL29950812 0.73 ERN1 (0.42) POLBMAPTKMT2AKDM4EMEN1
SCHEMBL1133932 0.71 KDM4E (0.54) POLBMAPTMAPK1KMT2AKDM4E

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
US-5122537-A Tyrosine kinase inhibitors FARMITALIA CARLO ERBA S.R.L. (IT) 1992-06-16 US disclosed