SCHEMBL8865747

SCHEMBL8865747

COc1cc([N+](=O)[O-])ccc1S(=O)(=O)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.57
HTT P42858 2/20 0.51
TXNRD1 Q16881 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
RAF1 P04049 1/20 0.46
POLB P06746 3/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP19A1 P11511 1/20 0.45
PKM P14618 1/20 0.44
HSD11B1 P28845 1/20 0.43

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
SCHEMBL8866433 0.86 HPGD (0.60) ALPLHTTTDP1ALDH1A1LMNA
SCHEMBL11588839 0.84 HTT (0.60) ALPLHTTTDP1POLBALDH1A1
SCHEMBL1098646 0.79 HTT (0.60) ALPLHTTTDP1POLBALDH1A1
SCHEMBL8866332 0.78 HTR6 (0.45) HTTALDH1A1LMNAPKM
SCHEMBL38656746 0.78 HTT (0.63) ALPLHTTTDP1POLBALDH1A1
SCHEMBL2032272 0.78 HTT (0.63) ALPLHTTTDP1POLBALDH1A1
SCHEMBL17373258 0.78 HTT (0.58) ALPLHTTTDP1POLBALDH1A1
SCHEMBL282513 0.78 HTT (0.58) ALPLHTTTDP1POLBALDH1A1
SCHEMBL210983 0.77 MAPT (0.56) HTTTXNRD1POLBALDH1A1L3MBTL1
SCHEMBL3573840 0.77 HTT (0.57) ALPLHTTTDP1POLBALDH1A1

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
US-5684198-A N-ARYL-2-HYDROXYPROPANAMIDES IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-11-04 US disclosed
US-5567735-A CELL POTASSIUM CHANNEL MODULATOR FOR TREATING ASTHMA IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-10-22 US disclosed
US-5565477-A TREATMENT OF URINARY INCONTINENCE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-10-15 US disclosed
US-5565465-A TREATMENT OF URINARY INCONTINENCE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-10-15 US disclosed
EP-0524781-B1 Therapeutic amides ZENECA LTD (GB) 1996-03-27 EP disclosed
US-5474999-A Useful in treatment of urinary incontinence IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-12-12 US disclosed
US-5382598-A Therapeutic amides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-01-17 US disclosed
US-5272163-A Therapeutic amides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-21 US disclosed
EP-0524781-A1 Therapeutic amides ZENECA LIMITED (GB) 1993-01-27 EP disclosed