SCHEMBL7985834

SCHEMBL7985834

[c]1nc(Oc2ccc(Oc3ccccc3)cc2)ncc1-c1ccnc(Oc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPK14 Q16539 7/20 0.40
LTA4H P09960 1/20 0.39
PIK3CA P42336 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MCL1 Q07820 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL7988190 0.90 PDE10A (0.45) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL7989153 0.88 ALDH1A1 (0.43) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL7986045 0.85 MEN1 (0.40) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL7974745 0.78 MAPK14 (0.40) MEN1KMT2AMAPK14
SCHEMBL7986965 0.77 MAPT (0.41) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL7991980 0.77 MAOB (0.51) HTTSMN1; SMN2CYP11B1CYP11B2MAPK14
SCHEMBL5119715 0.76 MEN1 (0.57) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL1415358 0.69 MEN1 (0.50) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL5619272 0.69 MEN1 (0.41) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL667593 0.68 AURKA (0.57) MEN1KMT2AHTTMAPTL3MBTL1

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
WO-2001042243-A2 PROTEIN KINASE INHIBITORS ADVANCED MEDICINE, INC. (US) 2001-06-14 WO disclosed