SCHEMBL8947170

SCHEMBL8947170

O=C(O)Cn1nnnc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
HPGD P15428 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 1/20 0.52
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 1/20 0.51
PTGS2 P35354 1/20 0.47
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HSD11B1 P28845 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL8947331 0.87 ALDH1A1 (0.84) ALDH1A1HPGDHTTLMNAHSD11B1
SCHEMBL8947081 0.84 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2PKMSLC6A2
SCHEMBL8947307 0.84 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2PKMHTT
SCHEMBL8947334 0.82 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2HTTMAPT
SCHEMBL8947261 0.81 ALDH1A1 (0.75) ALDH1A1HPGDHTTKDM4EHSD11B1
SCHEMBL5966727 0.81 ALDH1A1 (0.75) ALDH1A1HPGDPTGS2HTTMAPT
SCHEMBL8947281 0.81 ALDH1A1 (0.75) ALDH1A1HPGDHTTHSD11B1AKR1B1
SCHEMBL5966693 0.81 ALDH1A1 (0.74) ALDH1A1HPGDHTTKDM4EHSD11B1
SCHEMBL8947113 0.80 ALDH1A1 (0.54) ALDH1A1HPGDMAPTLMNAKMT2A
SCHEMBL8947199 0.80 ALDH1A1 (0.73) ALDH1A1HPGDHTTHSD11B1

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