SCHEMBL3977641

SCHEMBL3977641

CCCCCCCNP(N)(N)=S

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.44
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
THRB P10828 1/20 0.38
S1PR2 O95136 5/20 0.36
S1PR4 O95977 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR5 Q9H228 1/20 0.36
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
DNM1 Q05193 3/20 0.36

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
SCHEMBL3978319 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL3976476 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL3978227 0.98 TSHR (0.43) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL180545 0.90
SCHEMBL31485659 0.80 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL180785 0.79
SCHEMBL11139021 0.76 S1PR2 (0.45) EPHX1TSHRALDH1A1S1PR2S1PR4
SCHEMBL10873346 0.76 S1PR2 (0.45) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL229789 0.76 S1PR2 (0.45) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL10877503 0.76 S1PR2 (0.45) EPHX1TSHRALDH1A1ADH1BADH1C

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-2056889-A1 USE OF PHOSPHORIC TRIAMIDES IN TOILETS BASF SE (DE) 2009-05-13 EP claimed
WO-2008022919-A1 USE OF PHOSPHORIC TRIAMIDES IN TOILETS BASF SE (DE) 2008-02-28 WO claimed
EP-2056889-A1 USE OF PHOSPHORIC TRIAMIDES IN TOILETS BASF SE (DE) 2009-05-13 EP disclosed
WO-2008022919-A1 USE OF PHOSPHORIC TRIAMIDES IN TOILETS BASF SE (DE) 2008-02-28 WO disclosed