SCHEMBL7983642

SCHEMBL7983642

COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1C2=Cc1ccnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.44
GCGR P47871 1/20 0.44
GAK O14976 1/20 0.44
RIPK2 O43353 1/20 0.44
COQ8A Q8NI60 1/20 0.44
NLK Q9UBE8 1/20 0.44
PDPK1 O15530 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7980252 0.88 GAK (0.43) CYP11B2GCGRGAKRIPK2COQ8A
SCHEMBL7980256 0.88 GAK (0.43) CYP11B2GCGRGAKRIPK2COQ8A
SCHEMBL7983690 0.81 MAPT (0.49) CYP11B2GCGRMAPTALDH1A1MEN1
SCHEMBL8854395 0.74 CYP1A1 (0.58) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL828159 0.73 GAK (0.55) GAKRIPK2COQ8ANLKPDPK1
SCHEMBL15756387 0.72 MAPT (0.50) CYP11B2MAPTALDH1A1MEN1KMT2A
Iodide SCHEMBL14236729 0.71 GAK (0.54) GAKRIPK2COQ8ANLKPDPK1
Iodide SCHEMBL14236731 0.71 GAK (0.54) GAKRIPK2COQ8ANLKPDPK1
SCHEMBL7987213 0.71 MAPT (0.42) CYP11B2GCGRMAPTALDH1A1MEN1
SCHEMBL7987215 0.71 MAPT (0.42) CYP11B2GCGRMAPTALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed