SCHEMBL11086634

SCHEMBL11086634

O=NCCCN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.40
CXCR4 P61073 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL16549913 0.98 HRH3 (0.56) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL19720787 0.84
SCHEMBL12785747 0.82 LMNA (0.52) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL3439938 0.81 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL18034154 0.79 CXCR4 (0.55) HRH3CYP1A2SMN1; SMN2LMNACXCR4
SCHEMBL5980656 0.79 SMN1; SMN2 (0.54) CYP1A2MAPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL21154495 0.79 ALDH1A1 (0.43) HRH3MAPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL5911234 0.79 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL23828672 0.78 HRH3 (0.81) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL433324 0.78 HRH3 (0.81) HRH3CYP1A2MAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0108986-A1 N-substituted flavone-8-carboxamides Hokuriku Pharmaceutical Co.,Ltd (JP) 1984-05-23 EP disclosed