SCHEMBL8726445

SCHEMBL8726445

COc1ccc(OC)c(OCC#N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
PDE4A P27815 4/20 0.44
PDE4B Q07343 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
APLNR P35414 1/20 0.43
CYP1A2 P05177 4/20 0.43
CYP1A1 P04798 3/20 0.43
CYP1B1 Q16678 3/20 0.43
MAPT P10636 3/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL5211602 0.87 CA2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL26313070 0.82 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL17365878 0.82 ACHE (0.59) ALDH1A1LMNAPDE4APDE4BPDE4C
SCHEMBL2185962 0.80 P2RX3 (0.46) CA12CA1CA2CA7CA9
SCHEMBL7817452 0.79 ALDH1A1 (0.63) ALDH1A1LMNACYP1A2CYP1A1CYP1B1
SCHEMBL8314602 0.79 KDM4E (0.51) ALDH1A1LMNACYP1A2CYP1A1CYP1B1
SCHEMBL10372225 0.79 LMNA (0.46) ALDH1A1LMNASMN1; SMN2
SCHEMBL10506985 0.79 HTR2A (0.46) CA12CA1CA2CA7CA9
SCHEMBL801384 0.78 ALDH1A1 (0.45) ALDH1A1LMNAPDE4APDE4BPDE4C
SCHEMBL10372961 0.78 POLB (0.55) ALDH1A1LMNAMAPTMEN1KMT2A

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 3 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