SCHEMBL8527319

SCHEMBL8527319

CC(C)(C)c1c(N(N)Cc2ccc(C#N)cc2Cl)c(=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.39
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP19A1 P11511 2/20 0.36
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL7893927 0.70 HTT (0.38) P2RX7HTTNPSR1CYP19A1PDK1
SCHEMBL8619928 0.70 ABCC9 (0.37) P2RX7HTTNPSR1CYP19A1PDK1
SCHEMBL7887002 0.70 HTT (0.41) P2RX7HTTNPSR1CYP19A1PDK1
SCHEMBL7896906 0.70 HTT (0.39) P2RX7HTTNPSR1CYP19A1PDK1
SCHEMBL8621788 0.69 ABCC9 (0.38) P2RX7HTTNPSR1CYP19A1PDK1
SCHEMBL14107962 0.69 CYP2A6 (0.47) P2RX7HTTNPSR1PDK1PDK2
SCHEMBL7887079 0.68 HTT (0.36) P2RX7HTTNPSR1CYP19A1PDK1
SCHEMBL13874238 0.68 NR3C1 (0.46) P2RX7HTTNPSR1PDK1PDK2
SCHEMBL5110282 0.67 HTT (0.50) P2RX7HTTNPSR1CYP19A1PDK1
SCHEMBL5912934 0.67 HTT (0.45) P2RX7HTTNPSR1CYP19A1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927034-A1 METHOD OF TREATING URINARY INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 1999-07-07 EP claimed
WO-1998011888-A1 METHOD OF TREATING URINARY INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-26 WO claimed