SCHEMBL11591085

SCHEMBL11591085

Nc1nc(NC(=O)c2cccnc2)nc(NC(=O)c2cccnc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.60
HDAC3 O15379 3/20 0.60
HDAC2 Q92769 3/20 0.60
LMNA P02545 1/20 0.59
HIF1A Q16665 1/20 0.59
ROCK2 O75116 1/20 0.58
ROCK1 Q13464 1/20 0.58
HDAC6 Q9UBN7 2/20 0.56
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
KCNK3 O14649 1/20 0.52
HTT P42858 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
THRB P10828 1/20 0.51

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
SCHEMBL11591466 0.97 HDAC1 (0.60) HDAC1HDAC3HDAC2LMNAHIF1A
SCHEMBL11591966 0.92 LMNA (0.69) HDAC1HDAC3HDAC2LMNAHIF1A
SCHEMBL10483511 0.90 HDAC1 (0.53) HDAC1HDAC3HDAC2LMNAHIF1A
SCHEMBL8413034 0.88 HDAC1 (0.56) HDAC1HDAC3HDAC2LMNAHIF1A
SCHEMBL10483317 0.87 HDAC1 (0.56) HDAC1HDAC3HDAC2LMNAHIF1A
SCHEMBL11593266 0.87 HDAC1 (0.50) HDAC1HDAC3HDAC2LMNAHIF1A
SCHEMBL10339461 0.86 SMN1; SMN2 (0.54) HDAC1HDAC3HDAC2LMNAHIF1A
SCHEMBL10339459 0.86 SMN1; SMN2 (0.54) HDAC1HDAC3HDAC2LMNAHIF1A
SCHEMBL9566558 0.85 NPC1 (0.49) HDAC1HDAC3HDAC2LMNAHIF1A
SCHEMBL9566457 0.85 SMN1; SMN2 (0.55) HDAC1HDAC3HDAC2LMNAHIF1A

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-4098892-A ANTIULCER AGENTS AND DIURETICS NIPPON SHINYAKU CO., LTD. (JP) 1978-07-04 US claimed
US-4098892-A ANTIULCER AGENTS AND DIURETICS NIPPON SHINYAKU CO., LTD. (JP) 1978-07-04 US disclosed