SCHEMBL20125076

SCHEMBL20125076

COc1ccc(C)cc1/C=N/O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
LMNA P02545 7/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
CYP3A4 P08684 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
GFER P55789 1/20 0.47
HPGD P15428 6/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
FGF23 Q9GZV9 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL96202 0.85 LMNA (0.50) ACHELMNAALDH1A1MAPTCYP3A4
SCHEMBL3739640 0.81 CYP1A1 (0.56) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL13622498 0.81 ALDH1A1 (0.50) ACHELMNAALDH1A1MAPTCYP3A4
SCHEMBL3739643 0.81 CYP1A1 (0.56) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL24495458 0.80 HPGD (0.69) LMNAALDH1A1MAPTCYP3A4NPC1
SCHEMBL14041149 0.80 HPGD (0.44) LMNAALDH1A1MAPTCYP3A4NPC1
SCHEMBL2447953 0.80 HPGD (0.69) LMNAALDH1A1MAPTCYP3A4NPC1
SCHEMBL29687081 0.80 HPGD (0.69) LMNAALDH1A1MAPTCYP3A4NPC1
SCHEMBL31277402 0.80 HPGD (0.69) LMNAALDH1A1MAPTCYP3A4NPC1
SCHEMBL31277569 0.80 HPGD (0.69) LMNAALDH1A1MAPTCYP3A4NPC1

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-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed