SCHEMBL8947307

SCHEMBL8947307

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
PKM P14618 2/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
KEAP1 Q14145 3/20 0.45
NFE2L2 Q16236 3/20 0.45
ATM Q13315 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL8947255 0.86 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL2355039 0.86 ATM (0.48) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL8947170 0.84 ALDH1A1 (0.66) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL8947275 0.81 ALDH1A1 (0.61) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL8947334 0.80 ALDH1A1 (0.56) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL5966693 0.79 ALDH1A1 (0.74) ALDH1A1HPGDHTTHSD11B1
SCHEMBL8947300 0.79 ALDH1A1 (0.70) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL8947113 0.78 ALDH1A1 (0.54) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL8947261 0.77 ALDH1A1 (0.75) ALDH1A1HPGDHTTGAAMGAM
SCHEMBL8947331 0.76 ALDH1A1 (0.84) ALDH1A1HPGDLMNAHTTHSD11B1

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