SCHEMBL9730944

SCHEMBL9730944

O=CNC=Cc1ccnc2cc(O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
ALDH1A1 P00352 6/20 0.55
GAA P10253 3/20 0.55
KDM4E B2RXH2 3/20 0.55
EGFR P00533 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
TLR8 Q9NR97 1/20 0.38
MCL1 Q07820 1/20 0.38
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL9731308 0.90 MAPT (0.56) MAPTALDH1A1GAAKDM4EEGFR
SCHEMBL9731406 0.82 KDM4E (0.50) MAPTALDH1A1GAAKDM4EEGFR
SCHEMBL8764571 0.80 CCR1 (0.53) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL9732630 0.79 MAPT (0.55) MAPTALDH1A1GAAKDM4EEGFR
SCHEMBL9322706 0.75 EGFR (0.74) MAPTALDH1A1GAAKDM4EEGFR
SCHEMBL9322697 0.75 EGFR (0.74) MAPTALDH1A1GAAKDM4EEGFR
SCHEMBL9730980 0.74 EGFR (0.48) MAPTALDH1A1GAAKDM4EEGFR
Formamide SCHEMBL9730946 0.74 TLR8 (0.40) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL9732353 0.72 EGFR (0.49) MAPTALDH1A1GAAKDM4EEGFR
SCHEMBL9731149 0.72 MAPT (0.46) MAPTALDH1A1GAAKDM4EEGFR

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