SCHEMBL8667459

SCHEMBL8667459

[C]Cc1ccccc1CN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MPO P05164 2/20 0.53
KDM4E B2RXH2 3/20 0.52
CHRNA7 P36544 2/20 0.51
POLB P06746 1/20 0.50
HRH3 Q9Y5N1 3/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
JAK2 O60674 1/20 0.45
RAB9A P51151 1/20 0.45
ACHE P22303 1/20 0.44
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL11196594 0.89 ALDH1A1 (0.69) ALDH1A1MPOKDM4ECHRNA7POLB
SCHEMBL11194277 0.87 ALDH1A1 (0.73) ALDH1A1MPOKDM4ECHRNA7POLB
SCHEMBL11844158 0.79 MPO (0.70) ALDH1A1MPOKDM4ELMNAHTT
SCHEMBL28627893 0.79 VEGFA (0.61) ALDH1A1MPOKDM4ECHRNA7POLB
SCHEMBL22711512 0.79 ALDH1A1 (0.58) ALDH1A1MPOKDM4ECHRNA7POLB
SCHEMBL10415354 0.79 MPO (0.84) ALDH1A1MPOKDM4ECHRNA7HRH3
SCHEMBL1964500 0.79 ALDH1A1 (0.58) ALDH1A1MPOKDM4ECHRNA7POLB
SCHEMBL17585440 0.79 ALDH1A1 (0.58) ALDH1A1MPOKDM4ECHRNA7POLB
SCHEMBL7539704 0.79 ALDH1A1 (0.58) ALDH1A1MPOKDM4ECHRNA7POLB
SCHEMBL10073543 0.78 KDM4E (0.63) ALDH1A1MPOKDM4ECHRNA7POLB

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
EP-0876347-A1 QUINOLINE DERIVATIVES Smithkline Beecham S.p.A. (IT) 1998-11-11 EP disclosed
WO-1997021680-A1 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-19 WO disclosed