SCHEMBL7553959

SCHEMBL7553959

O=C(Nc1cncs1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP4 P55087 1/20 0.61
LMNA P02545 1/20 0.59
HIF1A Q16665 1/20 0.59
ROCK2 O75116 1/20 0.58
ROCK1 Q13464 1/20 0.58
HDAC1 Q13547 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
HPGD P15428 1/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
ALOX15 P16050 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
KCNK3 O14649 1/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL3653447 0.85 CSF1R (0.53) HDAC1HDAC3HDAC2KMT2AMEN1
SCHEMBL28954592 0.82 GAA (0.55) KMT2AHTTALDH1A1L3MBTL1MAPT
SCHEMBL10406072 0.81 KMT2A (0.66) AQP4LMNAHIF1AROCK2ROCK1
SCHEMBL3178559 0.76 AQP4 (1.00) AQP4LMNAHIF1AROCK2ROCK1
SCHEMBL31659577 0.76 THRB (0.60) AQP4LMNAHDAC1HDAC3HDAC2
SCHEMBL1571386 0.75 LMNA (1.00) LMNAHIF1AROCK2ROCK1KMT2A
SCHEMBL11591966 0.75 LMNA (0.69) AQP4LMNAHIF1AROCK2ROCK1
SCHEMBL6642201 0.74 KMT2A (0.67) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL3178619 0.74 NPC1 (0.72) AQP4LMNAHIF1AKMT2AMEN1
SCHEMBL2000041 0.74 HDAC1 (0.74) LMNAHIF1AROCK2ROCK1HDAC1

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
EP-1259487-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2002-11-27 EP claimed
WO-2001055114-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2001-08-02 WO claimed