SCHEMBL8947255

SCHEMBL8947255

COC(=O)Cn1nnnc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
PKM P14618 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
MAPT P10636 4/20 0.43
GAA P10253 4/20 0.43
APOBEC3G Q9HC16 1/20 0.43
SLC6A4 P31645 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
MGAM O43451 1/20 0.41
AMY1A P0DUB6 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
SCHEMBL8947081 0.86 ALDH1A1 (0.47) ALDH1A1PKMMEN1KMT2ATRPV1
SCHEMBL8947307 0.86 ALDH1A1 (0.53) ALDH1A1PKMMEN1KMT2AKEAP1
SCHEMBL8947277 0.84 TRPV1 (0.50) ALDH1A1MEN1KMT2ATRPV1GAA
SCHEMBL8947269 0.83 TRPV1 (0.43) ALDH1A1PKMMEN1KMT2ATRPV1
SCHEMBL2355039 0.82 ATM (0.48) ALDH1A1PKMMEN1KMT2AKEAP1
SCHEMBL8947167 0.81 HPGD (0.50) ALDH1A1MEN1KMT2ATRPV1MAPT
SCHEMBL8947295 0.81 TSHR (0.61) ALDH1A1KMT2ATRPV1MAPTGAA
SCHEMBL5966689 0.80 TRPV1 (0.59) ALDH1A1KMT2ATRPV1MAPTGAA
SCHEMBL8947241 0.80 LMNA (0.46) ALDH1A1PKMMEN1KMT2ATRPV1
SCHEMBL8947340 0.80 BCL2 (0.45) ALDH1A1MEN1KMT2AKDM4EL3MBTL1

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