SCHEMBL27899596

SCHEMBL27899596

CCCCC(Cl)OS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ PKM P14618 1/20 0.43
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ F2 P00734 3/20 0.40
▸ PRSS1 P07477 3/20 0.40
▸ PRSS2 P07478 3/20 0.40
▸ PRSS3 P35030 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL8710708 0.78 KMT2A (0.53) KMT2AMEN1PKMCA1CA2
SCHEMBL8716642 0.77 KMT2A (0.51) KMT2AMEN1PKMCA1CA2
SCHEMBL19469362 0.76 KMT2A (0.58) KMT2AMEN1PKMCA1CA2
SCHEMBL8713493 0.76 KMT2A (0.58) KMT2AMEN1PKMCA1CA2
SCHEMBL10751931 0.76 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1POLBPRSS1
SCHEMBL8711023 0.76 KMT2A (0.50) KMT2AMEN1PKMCA1CA2
SCHEMBL8713770 0.76 KMT2A (0.50) KMT2AMEN1PKMCA1CA2
SCHEMBL8711803 0.76 KMT2A (0.50) KMT2AMEN1PKMCA1CA2
SCHEMBL10792789 0.76 KMT2A (0.50) KMT2AMEN1PKMCA1CA2
SCHEMBL8711063 0.76 KMT2A (0.50) KMT2AMEN1PKMCA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103951624-B The manufacturing method of 1,4- diazepan derivatives or its salt 兴和株式会社 2019-04-16 — — CN disclosed
CN-103068818-B Novel process for producing isoquinoline derivatives or salts thereof KOWA CO 2014-11-19 — — CN disclosed
CN-103951624-A Production method for isoquinoline derivatives and salts thereof KOWA CO 2014-07-30 — — CN disclosed
CN-103068818-A Novel process for producing isoquinoline derivatives or salts thereof KOWA CO 2013-04-24 — — CN disclosed
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