SCHEMBL1704084

SCHEMBL1704084

Cc1cccc(NC(=O)O)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
HPGD P15428 4/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 1/20 0.47
DDX3X O00571 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
AKR1B10 O60218 1/20 0.42

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
SCHEMBL9994891 0.86 ALDH1A1 (0.66) RAB9ANPC1HPGDPOLBALDH1A1
SCHEMBL8448713 0.83 HPGD (0.49) RAB9ANPC1HPGDALDH1A1DDX3X
SCHEMBL28661809 0.82 HSD17B10 (0.54) RAB9ANPC1HPGDPOLBALDH1A1
SCHEMBL3380172 0.79 POLB (0.60) RAB9ANPC1HPGDPOLBALDH1A1
SCHEMBL665339 0.79 RAB9A (0.75) RAB9ANPC1HPGDPOLBALDH1A1
SCHEMBL3825402 0.78 HTT (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL15286152 0.78 MAPT (0.46) RAB9ANPC1HPGDALDH1A1MEN1
SCHEMBL2085952 0.78 TAS2R14 (0.43) RAB9ANPC1HPGDPOLBALDH1A1
SCHEMBL2284014 0.78 SMN1; SMN2 (0.58) RAB9AHPGDPOLBALDH1A1HDAC3
SCHEMBL1006923 0.78 LCK (0.45) RAB9ANPC1POLBMEN1LMNA

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
EP-2558069-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF Novartis AG (CH) 2013-02-20 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-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 WO disclosed
CN-101304989-A Carbocyclic fused cyclic amines as inhibitors of the coagulation factor XA HOFFMANN LA ROCHE (CH) 2008-11-12 CN disclosed