SCHEMBL10666702

SCHEMBL10666702

C=CC=CC(=O)N(CCCCc1cccnc1)c1ccccc1OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 13/20 0.49
ALDH1A1 P00352 2/20 0.43
TBXAS1 P24557 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL10398021 0.82 PTAFR (0.51) PTAFR
SCHEMBL10399383 0.68 PTAFR (0.70) PTAFRTBXAS1
SCHEMBL10398980 0.68 PTAFR (0.54) PTAFR
SCHEMBL10666706 0.67 PTAFR (0.65) PTAFR
SCHEMBL10397708 0.67 PTAFR (0.51) PTAFRTBXAS1
SCHEMBL10673055 0.67 PTAFR (0.70) PTAFR
SCHEMBL21176344 0.66 ALDH1A1 (0.44) PTAFRALDH1A1POLBSMN1; SMN2
SCHEMBL7751185 0.63 CHRNA7 (0.77) TBXAS1
SCHEMBL8199625 0.63 TDP1 (0.61) TBXAS1
SCHEMBL7594151 0.63 TDP1 (0.53) TBXAS1

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
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed