SCHEMBL5554094

SCHEMBL5554094

CCOC(=O)c1cnn(C)c1Nc1ccccc1N.CCOC(=O)c1cnn(C)c1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 9/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1496043 0.94 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL30933991 0.94 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL30933993 0.90 CDC25B (0.54) CDC25BALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL1495921 0.90 CDC25B (0.54) CDC25BALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL1495953 0.82 KMT2A (0.46) MAPTALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL1495954 0.82 KMT2A (0.46) MAPTALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL1495893 0.80 THRB (0.45) MAPTALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL1496063 0.80 MAPT (0.47) CDC25BMAPTALDH1A1HPGDKMT2A
SCHEMBL4837515 0.80 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2HPGDKMT2AGAA
SCHEMBL8370179 0.79 MAPT (0.61) MAPTALDH1A1SMN1; SMN2HPGDKMT2A

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-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
EP-1660501-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2006-05-31 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
WO-2005023812-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2005-03-17 WO disclosed