SCHEMBL8631347

SCHEMBL8631347

CCCC(=O)Oc1ccc(N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 3/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.44
ALDH1A1 P00352 6/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
SIRT6 Q8N6T7 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 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
SCHEMBL8631350 0.90 MAPT (0.46) MAPTKMT2APOLBMEN1CYP2C19
SCHEMBL8635347 0.83 ITGB3 (0.44) MAPTALDH1A1GAAITGB3ITGA2B
SCHEMBL8630666 0.81 ITGB3 (0.42) ALDH1A1GAAITGB3ITGA2B
SCHEMBL8650198 0.81 MAPT (0.44) MAPTKMT2APOLBMEN1CYP2C19
SCHEMBL8887870 0.81 MAPT (0.47) MAPTKMT2APOLBMEN1CYP2C19
SCHEMBL7402481 0.79 ENPP2 (0.49) MAPTKMT2APOLBMEN1CYP2C19
SCHEMBL28776408 0.75 BCL9 (0.50) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL8635350 0.75 HTR1A (0.41) MAPTALDH1A1GAAITGB3ITGA2B
SCHEMBL22321541 0.74 MAPT (0.47) MAPTPOLBLMNAALDH1A1GAA
SCHEMBL27768435 0.74 BCL9 (0.62) MAPTKMT2AMEN1LMNAALDH1A1

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