SCHEMBL8680387

SCHEMBL8680387

COc1ccc(-c2ccc(-c3ccccc3)nc2-c2ccc(O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
TP53 P04637 2/20 0.56
BACE1 P56817 1/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ACACA Q13085 1/20 0.52
NFKB1 P19838 2/20 0.50
RAB9A P51151 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL10991494 0.94 KDM4E (0.58) MAPTTP53BACE1NPC1KMT2A
SCHEMBL10976797 0.94 KDM4E (0.58) MAPTTP53BACE1NPC1KMT2A
SCHEMBL8675465 0.94 MAPT (0.59) MAPTTP53NPC1MEN1KMT2A
SCHEMBL8677193 0.87 MAPT (0.52) MAPTTP53NPC1MEN1KMT2A
SCHEMBL8680333 0.85 NPSR1 (0.54) MAPTNPC1MEN1KMT2AKDM4E
SCHEMBL8676667 0.84 NPSR1 (0.55) MAPTNPC1MEN1KMT2AKDM4E
SCHEMBL10993183 0.81 SQOR (0.53) MAPTNPC1MEN1KMT2AKDM4E
SCHEMBL10988161 0.81 PIK3CA (0.50) MAPTNPC1MEN1KMT2AKDM4E
SCHEMBL10992874 0.81 ACHE (0.49) MAPTTP53NPC1MEN1KMT2A
SCHEMBL5359428 0.81 NPC1 (0.59) MAPTNPC1MEN1KMT2AKDM4E

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-5750708-A Pyridine compounds intermediates processes compositions and methods ELI LILLY AND COMPANY (US) 1998-05-12 US disclosed
US-5672609-A POSTMENOPAUSAL SYNDROME; ANTILIPEMIC AND -CARCINOGENIC AGENTS; OSTEOPOROSIS; CARDIOTONIC AGENTS; RESTENOSIS; SIDE EFFECT REDUCTION COMPARED TO ESTROGEN ELI LILLY AND COMPANY (US) 1997-09-30 US disclosed
WO-1997004778-A1 PYRIDINE COMPOUNDS, INTERMEDIATES, PROCESSES, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1997-02-13 WO disclosed