SCHEMBL7986965

SCHEMBL7986965

COc1cccc(Oc2n[c]c(-c3ccnc(Oc4ccc(O)cc4)n3)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
TSHR P16473 4/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
PDE10A Q9Y233 1/20 0.38
USP2 O75604 3/20 0.38
ALOX15 P16050 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
ALOX12 P18054 2/20 0.38
MAPK1 P28482 2/20 0.38
IDH1 O75874 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK14 Q16539 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 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 0.88 PDE10A (0.45) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7989153 0.86 ALDH1A1 (0.43) MAPTTSHRRAB9AMEN1KMT2A
SCHEMBL7986045 0.86 MEN1 (0.40) MAPTMEN1KMT2APDE10AMAPK14
SCHEMBL7986104 0.80 KDM4E (0.39) MAPTLMNAMAPK14CYP1A2CYP2C9
SCHEMBL7985834 0.77 MEN1 (0.43) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7989104 0.75 PPP1CA (0.50) MAPTTSHRKMT2APDE10AMAPK1
SCHEMBL7985956 0.73 MAPK14 (0.41) MAPTMEN1KMT2APDE10AMAPK14
SCHEMBL7974674 0.73 MEN1 (0.44) MAPTTSHRRAB9ANPC1MEN1
SCHEMBL7992031 0.71 MAPK14 (0.41) MAPTMEN1KMT2AMAPK14HTT
SCHEMBL4046168 0.71 LTA4H (0.69) MEN1KMT2ASMN1; SMN2AR

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