SCHEMBL8463757

SCHEMBL8463757

Cc1cc(NC(=O)COc2ccccc2)cc(C)c1S(=O)(=O)C[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
POLB P06746 6/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
MGAT2 Q10469 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL9353090 0.87 KMT2A (0.52) NPC1POLBMAPK1MAPTALDH1A1
SCHEMBL9353097 0.84 NPC1 (0.44) NPC1POLBMAPTALDH1A1MEN1
SCHEMBL8467038 0.83 ALDH1A1 (0.52) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7223364 0.82 POLB (0.45) NPC1POLBALDH1A1MEN1KMT2A
SCHEMBL7230766 0.81 POLB (0.42) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL9357235 0.81 TSHR (0.49) POLBMAPK1MAPTALDH1A1MEN1
SCHEMBL9357242 0.81 TSHR (0.49) POLBMAPK1MAPTALDH1A1MEN1
SCHEMBL1201738 0.80 AKR1B1 (0.60) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL9617428 0.79 NPC1 (0.47) NPC1POLBMAPK1MAPTALDH1A1
SCHEMBL7225323 0.78 HDAC3 (0.42) POLBMAPTALDH1A1MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469888-B1 Amidobenzenes ICI PLC (GB) 1994-09-28 EP claimed
EP-0469888-A1 Amidobenzenes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-05 EP claimed
US-5866578-A Substituted pyrimidines for control of diabetic complications PFIZER INC (US) 1999-02-02 US disclosed
US-5728704-A INHIBITS SORBITOL DEHYDROGENASE PFIZER INC. (US) 1998-03-17 US disclosed
EP-0662962-A1 SUBSTITUTED PYRIMIDINES FOR CONTROL OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1995-07-19 EP disclosed
EP-0469888-B1 Amidobenzenes ICI PLC (GB) 1994-09-28 EP disclosed
WO-1994007867-A1 SUBSTITUTED PYRIMIDINES FOR CONTROL OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1994-04-14 WO disclosed
US-5250570-A Aldose reductase inhibitors for controlling side effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-05 US disclosed
EP-0469888-A1 Amidobenzenes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-05 EP disclosed