SCHEMBL1703740

SCHEMBL1703740

COc1cccc(N(Br)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.50
MTNR1B P49286 10/20 0.50
HSD17B2 P37059 3/20 0.49
HSD17B1 P14061 2/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
PARP1 P09874 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL20264517 0.81 HSD17B2 (0.61) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1007582 0.80 MTNR1A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL4293536 0.79 MTNR1A (0.50) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1012749 0.79 MTNR1A (0.51) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL27839545 0.79 MTNR1A (0.50) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL17501940 0.77 MTNR1A (0.49) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1704086 0.77 RAB9A (0.49) HSD17B2HSD17B1LMNAPOLBPARP1
SCHEMBL4789340 0.76 MTNR1A (0.47) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL26624252 0.75 MTNR1B (0.56) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL7985806 0.75 MEN1 (0.65) MTNR1AMTNR1BHSD17B2HSD17B1CES2

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-2558069-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF Novartis AG (CH) 2013-02-20 EP disclosed
EP-2512478-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF Novartis AG (CH) 2012-10-24 EP disclosed
EP-2440245-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES Novartis AG (CH) 2012-04-18 EP disclosed
WO-2011130379-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2011-10-20 WO disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 WO disclosed
CN-102015651-A Compounds and compositions as TLR activity modulators IRM LLC 2011-04-13 CN disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 WO disclosed