SCHEMBL10777972

SCHEMBL10777972

CN(C)c1ccc2cc(-c3ccc([N+](=O)[O-])cc3)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
APAF1 O14727 1/20 0.56
USP2 O75604 1/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TNKS O95271 2/20 0.48
PARP1 P09874 1/20 0.48
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
APP P05067 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PHLPP2 Q6ZVD8 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
SCHEMBL14900899 0.81 TNKS (0.59) RAB9AMAPTMEN1KMT2ATNKS
SCHEMBL9131248 0.77 TNKS (0.67) RAB9AMEN1KMT2ATNKSPARP1
SCHEMBL4150762 0.76 GABRP (0.65) RAB9AMAPTMEN1KMT2ATNKS
SCHEMBL23320376 0.76 NPC1 (0.59) L3MBTL1RAB9AMAPTMEN1KMT2A
SCHEMBL7823812 0.75 MAOB (0.63) TNKSPARP1CSNK2A2CSNK2BCSNK2A1
SCHEMBL5144583 0.74 MEN1 (0.71) USP2RAB9AMAPTMEN1KMT2A
SCHEMBL5528929 0.74 MAPT (0.70) L3MBTL1RAB9AMAPTMEN1KMT2A
SCHEMBL15080535 0.74 APP (0.57) L3MBTL1APAF1USP2RAB9ATNKS
SCHEMBL339622 0.74 L3MBTL1 (0.51) L3MBTL1APAF1USP2RAB9AMAPT
SCHEMBL31493167 0.73 APAF1 (0.97) L3MBTL1APAF1USP2RAB9AMAPT

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
US-4668803-A LUMINESCENCE ATLANTIC RICHFIELD COMPANY (US) 1987-05-26 US claimed
US-4668803-A LUMINESCENCE ATLANTIC RICHFIELD COMPANY (US) 1987-05-26 US disclosed