SCHEMBL8734044

SCHEMBL8734044

COc1ccc2c(c1[N+](=O)[O-])CCCC2(C#N)O[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.35
MAPT P10636 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL10751255 0.79 CA1 (0.33) CYP2C19MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL17605186 0.77
SCHEMBL7570951 0.70 KDM1A (0.50) CYP2C19CYP3A4KMT2AKDM4EALDH1A1
SCHEMBL14463051 0.68 TUBB4A (0.40) CYP2C19MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8730062 0.68 TDP1 (0.45) CYP2C19MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL19126994 0.68 KDM1A (0.36) CYP3A4KDM4EALDH1A1
SCHEMBL6568601 0.68 KDM1A (0.41) CYP2C19CYP3A4CYP2C9KMT2AKDM4E
SCHEMBL5900900 0.67 CYP3A4 (0.39) CYP2C19MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL12585697 0.67 CASR (0.36) MAPTKDM4ETDP1
SCHEMBL17222065 0.66 SIGMAR1 (0.37) CYP3A4

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