SCHEMBL9731192

SCHEMBL9731192

O=CNC=Cc1cccc2nc(O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
LMNA P02545 4/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
ERN1 O75460 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
SCHEMBL9730827 0.82 POLB (0.45) EGFRKDM4EALDH1A1MAPTPOLB
SCHEMBL29950812 0.79 ERN1 (0.42) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL9731570 0.78 KDM4E (0.43) EGFRKDM4EALDH1A1MAPTPOLB
SCHEMBL9731149 0.76 MAPT (0.46) EGFRKDM4EALDH1A1MAPTPOLB
SCHEMBL9731764 0.74 MAPT (0.47) EGFRKDM4EALDH1A1MAPTPOLB
SCHEMBL9730993 0.73 EGFR (0.41) EGFRKDM4EALDH1A1MAPTPOLB
Formamide SCHEMBL9731196 0.73 ESR2 (0.34) ERN1
SCHEMBL9732630 0.71 MAPT (0.55) EGFRKDM4EALDH1A1MAPTPOLB
SCHEMBL9731190 0.71 NQO2 (0.32) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL9732410 0.70 EGFR (0.56) EGFRKDM4EALDH1A1MAPTPOLB

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