SCHEMBL9731308

SCHEMBL9731308

O=CNC=Cc1ccnc2ccc(O)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 4/20 0.56
EGFR P00533 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PARP1 P09874 1/20 0.39
CNR1 P21554 2/20 0.36

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
SCHEMBL9730944 0.90 MAPT (0.55) MAPTALDH1A1KDM4EEGFRL3MBTL1
SCHEMBL9732630 0.80 MAPT (0.55) MAPTALDH1A1KDM4EEGFRL3MBTL1
SCHEMBL9731764 0.80 MAPT (0.47) MAPTALDH1A1KDM4EEGFRL3MBTL1
SCHEMBL29956482 0.79 CCR1 (0.50) MAPTALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL9732353 0.77 EGFR (0.49) MAPTALDH1A1KDM4EEGFRL3MBTL1
SCHEMBL9322706 0.76 EGFR (0.74) MAPTALDH1A1KDM4EEGFRL3MBTL1
SCHEMBL9322697 0.76 EGFR (0.74) MAPTALDH1A1KDM4EEGFRL3MBTL1
SCHEMBL9730980 0.75 EGFR (0.48) MAPTALDH1A1KDM4EEGFRL3MBTL1
SCHEMBL9731406 0.74 KDM4E (0.50) MAPTALDH1A1KDM4EEGFRL3MBTL1
SCHEMBL9731149 0.73 MAPT (0.46) MAPTALDH1A1KDM4EEGFRL3MBTL1

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