SCHEMBL5253272

SCHEMBL5253272

O=C(O)C1=CC=CN2C(=C1)Cc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.35
HPGD P15428 2/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
PABPC1 P11940 1/20 0.32
BLM P54132 1/20 0.32
TSHR P16473 1/20 0.32
SRD5A2 P31213 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
AKR1C3 P42330 1/20 0.30
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL3211485 0.72 HPGD (0.33) NOTUMHPGDMEN1KMT2AKDM4E
SCHEMBL2844835 0.67 NOTUM (0.36) NOTUMHPGDMEN1MAPTKMT2A
SCHEMBL7100243 0.66 HPGD (0.36) NOTUMHPGDMEN1MAPTKMT2A
SCHEMBL3203392 0.65 HPGD (0.31) HPGD
SCHEMBL1515682 0.64 NOTUM (0.36) NOTUMHPGDMEN1MAPTKMT2A
SCHEMBL16972705 0.64 NOTUM (0.38) NOTUMHPGDMEN1MAPTKMT2A
SCHEMBL30417865 0.62 HPGD (0.45) NOTUMHPGDMEN1MAPTKMT2A
SCHEMBL27489322 0.60 NOTUM (0.56) NOTUMHPGDMEN1MAPTKMT2A
SCHEMBL7008489 0.59 HPGD (0.31) HPGD
SCHEMBL10960773 0.59 HPGD (0.31) HPGD

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
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO disclosed