SCHEMBL8947269

SCHEMBL8947269

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
ALDH1A1 P00352 11/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GRK6 P43250 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL8947241 0.90 LMNA (0.46) TRPV1ALDH1A1HPGDKMT2AMEN1
SCHEMBL8947334 0.87 ALDH1A1 (0.56) ALDH1A1HPGDKMT2AMEN1L3MBTL1
SCHEMBL8947122 0.85 ALDH1A1 (0.47) TRPV1ALDH1A1HPGDKMT2AMEN1
SCHEMBL8947081 0.84 ALDH1A1 (0.47) TRPV1ALDH1A1HPGDKMT2AMEN1
SCHEMBL8947255 0.83 ALDH1A1 (0.46) TRPV1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL8947317 0.82 ALDH1A1 (0.57) TRPV1ALDH1A1HPGDKMT2AGAA
SCHEMBL8947240 0.79 ALDH1A1 (0.54) TRPV1ALDH1A1HPGDKMT2AMEN1
SCHEMBL8947266 0.78 ALDH1A1 (0.48) TRPV1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL8947277 0.78 TRPV1 (0.50) TRPV1ALDH1A1HPGDKMT2AMEN1
SCHEMBL8947149 0.76 ALDH1A1 (0.51) TRPV1ALDH1A1HPGDKMT2AGAA

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