SCHEMBL863022

SCHEMBL863022

CN(COc1ccccc1)Cc1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR1A P08908 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSPA5 P11021 1/20 0.39
AKR1B1 P15121 1/20 0.39
IDO1 P14902 2/20 0.38
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL1387545 0.81 HTR1A (0.41) HTR1ASMN1; SMN2HSPA5AKR1B1IDO1
SCHEMBL862811 0.80 HSPA5 (0.54) HTR1AHSPA5AKR1B1IDO1MEN1
SCHEMBL31404242 0.80 HSPA5 (0.54) HTR1AHSPA5AKR1B1IDO1MEN1
SCHEMBL863049 0.78 TAAR1 (0.50) SMN1; SMN2NPC1RAB9ARECQLLMNA
SCHEMBL15483812 0.76 HSPA5 (0.50) HTR1AHSPA5AKR1B1IDO1MEN1
SCHEMBL95295 0.76 HSPA5 (0.50) HTR1AHSPA5AKR1B1IDO1MEN1
SCHEMBL24011665 0.74 HTR2A (0.49) HTR1AHSPA5AKR1B1IDO1
SCHEMBL862808 0.74 HSPA5 (0.48) HTR1AHSPA5AKR1B1IDO1MEN1
SCHEMBL14424853 0.73 CYP2D6 (0.50) HTR1AHSPA5AKR1B1IDO1
SCHEMBL11587647 0.72 AKR1B1 (0.55) HSPA5AKR1B1MEN1RECQLKMT2A

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
US-8759443-B2 Curable benzoxazine-based compositions, their preparation and cured products thereof HENKEL AG & CO. KGAA (DE) 2014-06-24 US disclosed
US-8168743-B2 Curable benzoxazine macromonomers, their preparation and cured products HENKEL AG & CO. KGAA (DE) 2012-05-01 US disclosed
US-8143363-B2 Polymerizable composition HENKEL AG & CO. KGAA (DE) 2012-03-27 US disclosed
US-20110105680-A1 Polymerizable Composition HENKEL AG & CO. KGAA (DE) 2011-05-05 US disclosed
US-20100210787-A1 CURABLE BENZOXAZINE MACROMONOMERS, THEIR PREPARATION AND CURED PRODUCTS HENKEL AG & CO. KGAA (DE) 2010-08-19 US disclosed
US-20100204385-A1 CURABLE BENZOXAZINE-BASED COMPOSITIONS, THEIR PREPARATION AND CURED PRODUCTS THEREOF HENKEL AG & CO. KGAA (DE) 2010-08-12 US disclosed
US-20100204385-A1 CURABLE BENZOXAZINE-BASED COMPOSITIONS, THEIR PREPARATION AND CURED PRODUCTS THEREOF HENKEL AG & CO. KGAA (DE) 2010-08-12 US disclosed