SCHEMBL8216660

SCHEMBL8216660

COc1ccc(NNc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.75
ALDH1A1 P00352 4/20 0.66
HTT P42858 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 2/20 0.66
PGR P06401 5/20 0.60
CA4 P22748 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 1/20 0.55
PTGS2 P35354 1/20 0.54
KDM4E B2RXH2 3/20 0.52
GAA P10253 2/20 0.52
NPC1 O15118 1/20 0.52
THRB P10828 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL4909838 0.89 CYP1A2 (0.62) LTA4HALDH1A1HTTMEN1KMT2A
SCHEMBL17283659 0.87 LTA4H (1.00) LTA4HALDH1A1HTTMEN1KMT2A
SCHEMBL491503 0.87 LTA4H (1.00) LTA4HALDH1A1HTTMEN1KMT2A
Phosphine SCHEMBL28324113 0.84 LTA4H (0.95) LTA4HALDH1A1HTTMEN1KMT2A
Diphenylether SCHEMBL818919 0.84 LTA4H (0.94) LTA4HALDH1A1HTTMEN1KMT2A
SCHEMBL851498 0.84 RAB9A (0.70) ALDH1A1HTTMAPTSMN1; SMN2HPGD
Diphenylether SCHEMBL28869227 0.84 LTA4H (0.94) LTA4HALDH1A1HTTMEN1KMT2A
SCHEMBL1980006 0.84 MTNR1B (0.66) LTA4HALDH1A1PGRSMN1; SMN2
Diphenylether SCHEMBL27827099 0.82 LTA4H (0.90) LTA4HALDH1A1HTTMEN1KMT2A
SCHEMBL21340447 0.81 PGR (0.53) LTA4HALDH1A1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019720-A1 COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1998027427-A1 COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 WO disclosed