SCHEMBL8947113

SCHEMBL8947113

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
VCAM1 P19320 2/20 0.42
HSD11B1 P28845 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
P2RX7 Q99572 1/20 0.39
F2 P00734 1/20 0.39
DHFR P00374 1/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
LMNA P02545 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
SCHEMBL8947334 0.88 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8947241 0.86 LMNA (0.46) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7414782 0.81 MAPT (0.43) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL8947170 0.80 ALDH1A1 (0.66) ALDH1A1HPGDAKR1B1MAPTMEN1
SCHEMBL8947307 0.78 ALDH1A1 (0.53) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8947331 0.77 ALDH1A1 (0.84) ALDH1A1HPGDHSD11B1P2RX7LMNA
SCHEMBL8947260 0.76 ALDH1A1 (0.73) ALDH1A1HPGDL3MBTL1HSD11B1P2RX7
SCHEMBL8947269 0.75 TRPV1 (0.43) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8947333 0.74 ALDH1A1 (0.65) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL20338958 0.72 S1PR1 (0.44) ALDH1A1AKR1B10AKR1B1MAPTMEN1

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