SCHEMBL9730827

SCHEMBL9730827

O=CNC=Cc1cc(O)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.45
MAPT P10636 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
GAA P10253 3/20 0.45
EGFR P00533 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
PKM P14618 1/20 0.45
ERN1 O75460 1/20 0.37
MEN1 O00255 8/20 0.35
KMT2A Q03164 8/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
GFER P55789 3/20 0.34
RAB9A P51151 1/20 0.34
KLK7 P49862 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
SCHEMBL9731192 0.82 EGFR (0.42) POLBMAPTL3MBTL1GAAEGFR
SCHEMBL29950678 0.79 ERN1 (0.47) POLBL3MBTL1GAAALDH1A1KDM4E
SCHEMBL16431491 0.79 ERN1 (0.47) POLBL3MBTL1GAAALDH1A1KDM4E
SCHEMBL9731516 0.77 EGFR (0.44) POLBMAPTL3MBTL1GAAEGFR
SCHEMBL9732522 0.76 EGFR (0.55) POLBMAPTL3MBTL1GAAEGFR
SCHEMBL9730667 0.75 ERN1 (0.46) POLBMAPTL3MBTL1GAAEGFR
SCHEMBL9732248 0.75 ALDH1A1 (0.46) POLBMAPTL3MBTL1GAAEGFR
SCHEMBL9732588 0.75 EGFR (0.41) POLBMAPTL3MBTL1GAAEGFR
SCHEMBL9731406 0.74 KDM4E (0.50) POLBMAPTL3MBTL1GAAEGFR
SCHEMBL9724274 0.74 KDM4E (0.45) POLBMAPTL3MBTL1GAAEGFR

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