SCHEMBL8947092

SCHEMBL8947092

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.65
▸ MAPT P10636 5/20 0.58
▸ TSHR P16473 1/20 0.56
▸ SMN1; SMN2 Q16637 7/20 0.56
▸ LMNA P02545 6/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ GAA P10253 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MAPK1 P28482 1/20 0.54
▸ POLB P06746 2/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ PKM P14618 2/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL19376949 0.86 ALDH1A1 (0.64) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL14564240 0.85 MAPT (0.49) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL8947257 0.85 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL17204704 0.85 NPC1 (0.65) ALDH1A1MAPTTSHRLMNAMEN1
SCHEMBL15631020 0.83 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL8947325 0.81 SMN1; SMN2 (0.57) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL10231311 0.80 HSP90AA1 (0.62) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL31387585 0.80 TSHR (0.66) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL13495683 0.80 TSHR (0.66) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL8947150 0.79 GAA (0.67) ALDH1A1MAPTTSHRSMN1; SMN2LMNA

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
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