SCHEMBL11591993

SCHEMBL11591993

O=C(Nc1ncncn1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.63
▸ HIF1A Q16665 1/20 0.63
▸ ROCK2 O75116 1/20 0.61
▸ ROCK1 Q13464 1/20 0.61
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HDAC3 O15379 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ KCNK3 O14649 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ THRB P10828 1/20 0.54
▸ PIM1 P11309 1/20 0.54
▸ PIM3 Q86V86 1/20 0.54
▸ PIM2 Q9P1W9 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HPGD P15428 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53

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
SCHEMBL6643666 0.90 LMNA (0.67) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL11591966 0.84 LMNA (0.69) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL10483317 0.83 HDAC1 (0.56) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL4542768 0.82 BCAT2 (0.58) HTTL3MBTL1NAMPTNPC1RAB9A
SCHEMBL23406076 0.79 CYP2A6 (0.55) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL29743805 0.79 CYP2A6 (0.55) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL29199014 0.78 LMNA (0.56) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL19520187 0.78 LMNA (0.81) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL11591085 0.78 HDAC1 (0.60) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL11591466 0.78 HDAC1 (0.60) 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
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
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