SCHEMBL7325858

SCHEMBL7325858

COC(=O)c1c2ccccc2n2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.56
NR4A2 P43354 3/20 0.51
KMT2A Q03164 7/20 0.50
MAPT P10636 7/20 0.50
MEN1 O00255 6/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
PABPC1 P11940 2/20 0.46
APAF1 O14727 1/20 0.46
G6PD P11413 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
PPARG P37231 3/20 0.46
NCOR2 Q9Y618 3/20 0.46
NR2E3 Q9Y5X4 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL364930 0.85 MAPT (0.51) IDO1KMT2AMAPTMEN1USP2
SCHEMBL364926 0.85 MAPT (0.49) IDO1KMT2AMAPTMEN1USP2
SCHEMBL365564 0.84 KMT2A (0.56) IDO1KMT2AMAPTMEN1USP2
SCHEMBL364280 0.83 MAPT (0.47) IDO1KMT2AMAPTMEN1USP2
SCHEMBL365369 0.83 MAPT (0.47) IDO1KMT2AMAPTMEN1USP2
SCHEMBL364338 0.83 MAPT (0.47) IDO1KMT2AMAPTMEN1USP2
SCHEMBL366347 0.82 MAPT (0.47) IDO1KMT2AMAPTMEN1USP2
SCHEMBL364927 0.81 SRC (0.51) NR4A2KMT2AMAPTMEN1ALDH1A1
SCHEMBL364931 0.81 NR4A2 (0.50) IDO1NR4A2KMT2AMAPTMEN1
SCHEMBL365053 0.81 IDO1 (0.48) IDO1KMT2AMAPTMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998409-A GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-12-07 US disclosed
EP-0630376-B1 CONDENSED INDOLE DERIVATIVES AS 5-HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-02 EP disclosed
US-5852014-A Condensed indole derivatives as 5HT4 -receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1998-12-22 US disclosed
EP-0630376-A1 CONDENSED INDOLE DERIVATIVES AS 5HT 4?-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-28 EP disclosed
WO-1993018036-A1 CONDENSED INDOLE DERIVATIVES AS 5HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-09-16 WO disclosed