SCHEMBL8631350

SCHEMBL8631350

CCCC(=O)OOc1ccc(N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
POLB P06746 3/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 8/20 0.41
SIRT6 Q8N6T7 3/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8631347 0.90 MAPT (0.47) MAPTKMT2AMEN1POLBCYP2C19
SCHEMBL8635350 0.84 HTR1A (0.41) MAPTGAAALDH1A1
SCHEMBL8887870 0.79 MAPT (0.47) MAPTKMT2AMEN1POLBCYP2C19
SCHEMBL8650198 0.78 MAPT (0.44) MAPTKMT2AMEN1POLBCYP2C19
SCHEMBL7402481 0.77 ENPP2 (0.49) MAPTKMT2AMEN1POLBCYP2C19
SCHEMBL8635347 0.75 ITGB3 (0.44) MAPTGAAALDH1A1
SCHEMBL27596079 0.74 BCL9 (0.42) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL8630666 0.73 ITGB3 (0.42) GAAALDH1A1
SCHEMBL28913685 0.70 L3MBTL1 (0.40) MAPTKMT2AMEN1CYP2C19ALDH1A1
SCHEMBL8635008 0.70 ITGB3 (0.44) GAAALDH1A1HTTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed