SCHEMBL8866554

SCHEMBL8866554

CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)cc1)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 19/20 1.00
ABCC8 Q09428 19/20 1.00
KCNJ11 Q14654 19/20 1.00
KCNJ8 Q15842 19/20 1.00
MEN1 O00255 1/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2D6 P10635 1/20 0.76
TSHR P16473 1/20 0.76
CYP2C19 P33261 1/20 0.76
KMT2A Q03164 1/20 0.76
PDK1 Q15118 1/20 0.67
PDK2 Q15119 1/20 0.67
PDK3 Q15120 1/20 0.67
PDK4 Q16654 1/20 0.67

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
SCHEMBL8865980 1.00 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8866665 0.86 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8866274 0.86 ABCC9 (0.76) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8866328 0.86 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL2128828 0.86 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8866291 0.85 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8867018 0.84 ABCC9 (0.76) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8867197 0.83 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL4608774 0.83 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8866175 0.83 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524781-B1 Therapeutic amides ZENECA LTD (GB) 1996-03-27 EP claimed
EP-0524781-A1 Therapeutic amides ZENECA LIMITED (GB) 1993-01-27 EP claimed
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