SCHEMBL9527451

SCHEMBL9527451

NCCOC(=O)N1CCc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 6/20 0.57
WDR77 Q9BQA1 6/20 0.57
NOTUM Q6P988 1/20 0.54
TMPRSS2 O15393 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAOA P21397 1/20 0.54
SLC6A2 P23975 1/20 0.54
ABHD6 Q9BV23 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL30023801 0.85 NOTUM (0.58) PRMT5WDR77NOTUMTMPRSS2HTR1A
SCHEMBL9853000 0.84 SMN1; SMN2 (0.58) PRMT5WDR77NOTUMTMPRSS2HTR1A
SCHEMBL16268868 0.83 ALDH1A1 (0.64) PRMT5WDR77NOTUMTMPRSS2HTR1A
SCHEMBL22032274 0.83 PRMT5 (0.61) PRMT5WDR77NOTUMTMPRSS2HTR1A
SCHEMBL15355387 0.83 PRMT5 (0.55) PRMT5WDR77NOTUMABHD6MEN1
SCHEMBL324836 0.83 PRMT5 (0.55) PRMT5WDR77NOTUMABHD6MEN1
SCHEMBL30647004 0.83 PRMT5 (0.55) PRMT5WDR77NOTUMABHD6MEN1
SCHEMBL9852991 0.82 SMN1; SMN2 (0.62) PRMT5WDR77NOTUMTMPRSS2HTR1A
SCHEMBL3721168 0.81 PRMT5 (0.56) PRMT5WDR77NOTUMABHD6TSHR
SCHEMBL29698165 0.81 PRMT5 (0.59) PRMT5WDR77NOTUMABHD6MEN1

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-0382380-B1 PYRIDINIUM NITRATE, ITS PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-09-01 EP disclosed
US-4981860-A ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-01-01 US disclosed
EP-0382380-A1 Pyridinium Nitrate, its production and use Takeda Chemical Industries, Ltd. (JP) 1990-08-16 EP disclosed