SCHEMBL9730933

SCHEMBL9730933

O=CNC=Cc1cnc2cc(O)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
EGFR P00533 3/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ESR2 Q92731 1/20 0.46
PDGFRB P09619 4/20 0.43
PDGFRA P16234 4/20 0.43
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
LMNA P02545 1/20 0.38
TTR P02766 1/20 0.34

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
SCHEMBL9731088 0.88 KDM4E (0.53) ALDH1A1KDM4EEGFRGAAMAPT
SCHEMBL29953405 0.81 ESR2 (0.54) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL2446728 0.81 ESR2 (0.54) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL9731551 0.80 PDGFRB (0.63) ALDH1A1KDM4EEGFRGAAMAPT
SCHEMBL9731167 0.76 KDM4E (0.51) ALDH1A1KDM4EEGFRGAAMAPT
Formamide SCHEMBL9730938 0.75 PDGFRB (0.48) ALDH1A1KDM4EGAAMAPTESR2
SCHEMBL9731187 0.75 ALDH1A1 (0.54) ALDH1A1KDM4EEGFRGAAMAPT
SCHEMBL9731363 0.73 MAPT (0.49) ALDH1A1KDM4EEGFRGAAMAPT
SCHEMBL9731098 0.73 EGFR (0.49) ALDH1A1KDM4EEGFRGAAMAPT
SCHEMBL9731151 0.72 EGFR (0.46) ALDH1A1KDM4EEGFRGAAMAPT

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