SCHEMBL8726432

SCHEMBL8726432

COc1ccc(OC)c(C(O)C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.58
ADRA2A P08913 2/20 0.58
CYP2D6 P10635 2/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPK1 P28482 1/20 0.55
BLM P54132 1/20 0.55
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
DHFR P00374 1/20 0.50
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL7860955 0.86 CA12 (0.47) ADRA1AADRA2ACYP2D6MEN1KMT2A
SCHEMBL17388712 0.83 ADRA1A (0.68) ADRA1AADRA2ACYP2D6MEN1KMT2A
SCHEMBL28695645 0.83 ADRA1A (0.67) ADRA1AADRA2ACYP2D6MEN1KMT2A
SCHEMBL11044403 0.81 KDM4E (0.43) ADRA1AADRA2ACYP2D6MEN1KMT2A
SCHEMBL6283315 0.81 ADRA2A (0.41) ADRA1AADRA2ACYP2D6MEN1KMT2A
SCHEMBL18287881 0.80 ADRA1A (0.68) ADRA1AADRA2ACYP2D6MEN1KMT2A
SCHEMBL1199570 0.78 TSHR (0.47) MEN1KMT2ACA1CA2CA12
SCHEMBL22144397 0.78 TSHR (0.47) MEN1KMT2ACA1CA2CA12
SCHEMBL9027230 0.78 ADRA1A (0.69) ADRA1AADRA2ACYP2D6MEN1KMT2A
SCHEMBL7817448 0.78 TRIM24 (0.53) ADRA1AADRA2ACYP2D6MEN1KMT2A

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
EP-0835107-A1 THE USE OF ALPHA-1C-SELECTIVE ADRENOCEPTOR AGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-04-15 EP disclosed
US-5610174-A Use of α1A -selective adrenoceptor agonists for the treatment of urinary incontinence SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-03-11 US disclosed
WO-1996038143-A1 THE USE OF ALPHA-1C-SELECTIVE ADRENOCEPTOR AGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-12-05 WO disclosed
WO-1990012794-A1 ENANTIOMER-FREE 1,2-AMINOALCOHOLS ACETALICALLY PROTECTED ON THE OXYGEN, THEIR PRODUCTION AND USE NOE CHRISTIAN R (AT) 1990-11-01 WO disclosed