SCHEMBL9730984

SCHEMBL9730984

C=C(NC=O)c1ccc2c(O)cccc2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 4/20 0.33
ACHE P22303 1/20 0.33
CYP1A2 P05177 2/20 0.33
MGAM O43451 1/20 0.33
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
MMP14 P50281 1/20 0.31
GFER P55789 1/20 0.31
RAB9A P51151 2/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9731511 0.82 MYC (0.37) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL9732739 0.78 MGAM (0.51) KMT2AKDM4ECYP1A2MGAMMAPT
SCHEMBL9732925 0.78 KMT2A (0.55) KMT2AKDM4ECYP1A2MAPTMEN1
SCHEMBL9731610 0.75 IDO1 (0.46) KDM4ECYP1A2MAPTIDO1TDO2
SCHEMBL9731517 0.74 IDO1 (0.38) KDM4ECYP1A2MAPTIDO1TDO2
SCHEMBL5181112 0.74 MGAM (0.58) KMT2AKDM4EACHECYP1A2MGAM
SCHEMBL9731190 0.73 NQO2 (0.32) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL9731161 0.73 ALDH1A1 (0.38) KMT2AKDM4EMGAMMAPTMEN1
SCHEMBL9731179 0.72 HSD17B14 (0.44) KMT2AKDM4ECYP1A2MGAMMAPT
SCHEMBL9731136 0.71 ERN1 (0.40) MGAMMAPTPOLBMAPK1IDO1

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