SCHEMBL8947241

SCHEMBL8947241

COC(=O)Cn1nnnc1-c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
F2 P00734 1/20 0.39
VCAM1 P19320 1/20 0.39
THRB P10828 1/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
PKM P14618 1/20 0.38
CHEK2 O96017 1/20 0.38

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
SCHEMBL8947269 0.90 TRPV1 (0.43) LMNAL3MBTL1TRPV1ALDH1A1MAPT
SCHEMBL8947113 0.86 ALDH1A1 (0.54) LMNAL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL8947081 0.82 ALDH1A1 (0.47) TRPV1ALDH1A1MAPTHPGDMEN1
SCHEMBL8947340 0.80 BCL2 (0.45) LMNAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8947255 0.80 ALDH1A1 (0.46) L3MBTL1TRPV1ALDH1A1MAPTMEN1
SCHEMBL7414782 0.80 MAPT (0.43) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8947311 0.79 ALDH1A1 (0.57) L3MBTL1TRPV1ALDH1A1MAPTHPGD
SCHEMBL8947122 0.78 ALDH1A1 (0.47) TRPV1ALDH1A1MAPTHPGDMEN1
SCHEMBL8947334 0.77 ALDH1A1 (0.56) LMNAL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL8947266 0.76 ALDH1A1 (0.48) LMNATRPV1ALDH1A1MAPTHPGD

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
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed