SCHEMBL28046418

SCHEMBL28046418

COC(=O)C(OS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ F2 P00734 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ SLC10A6 Q3KNW5 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ LMNA P02545 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
SCHEMBL29993001 0.83 KMT2A (0.44) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL14141639 0.83 KMT2A (0.44) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL23524 0.83 KMT2A (0.44) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6139230 0.78 PSEN1 (0.43) ALDH1A1L3MBTL1F2PRSS1PRSS2
SCHEMBL28824902 0.78 PSEN1 (0.43) ALDH1A1L3MBTL1F2PRSS1PRSS2
SCHEMBL2169427 0.78 ABCB11 (0.39) ALDH1A1THRBKMT2AMEN1LMNA
SCHEMBL28560399 0.78 ABCB11 (0.39) ALDH1A1THRBKMT2AMEN1LMNA
SCHEMBL26301826 0.78 ABCB11 (0.39) ALDH1A1THRBKMT2AMEN1LMNA
SCHEMBL6138912 0.78 MAPK1 (0.39) ALDH1A1L3MBTL1HPGDMAPT
SCHEMBL28555501 0.77 LMNA (0.42) ALDH1A1KMT2AMEN1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103254211-B A kind of method preparing dimension card Gray and derivative thereof JIANGSU VCARE PHARMATECH Co.,Ltd. (CN) 2015-12-16 — — CN claimed
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