SCHEMBL4186548

SCHEMBL4186548

O=C(O)C1=CC=CNc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.40
TTR P02766 2/20 0.37
DAO P14920 1/20 0.35
TSHR P16473 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
ALOX5 P09917 1/20 0.35
PIM1 P11309 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
SRD5A2 P31213 2/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
SRD5A1 P18405 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSP90AA1 P07900 1/20 0.33
VCP P55072 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1036164 0.86 MAPT (0.38) PTPRCTTRTSHRKMT2AMAPT
SCHEMBL1248241 0.73 MEN1 (0.31) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL22134876 0.69
SCHEMBL2499343 0.69 NOS2 (0.33) ALDH1A1L3MBTL1
SCHEMBL28451026 0.69 NPC1 (0.31) TTRKMT2AMAPTMEN1ALDH1A1
SCHEMBL27344013 0.69 MAOA (0.31)
Hydrochloric Acid SCHEMBL29848740 0.68 NOS2 (0.32) KMT2AMEN1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL28450806 0.68 NOS2 (0.32) KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL4044958 0.68 MAPT (0.42) ALOX5PIM1KMT2AMAPTMEN1
SCHEMBL27967147 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121694-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS Bristol-Myers Squibb Company (US) 2009-11-25 EP disclosed
EP-2121707-A1 ANTIVIRAL INDOLES Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-11-25 EP disclosed
EP-2029606-A2 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS Brystol-Myers Squibb Company (US) 2009-03-04 EP disclosed
WO-2008111978-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO disclosed
WO-2008075103-A1 ANTIVIRAL INDOLES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-26 WO disclosed
WO-2007140254-A2 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
WO-2007033032-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed