SCHEMBL12464646

SCHEMBL12464646

C=C(O)c1ccccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 9/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP3A4 P08684 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 8/20 0.45
CFTR P13569 1/20 0.45
KDM4E B2RXH2 4/20 0.42
TSHR P16473 4/20 0.42
MMP2 P08253 1/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 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
SCHEMBL27989653 0.81 ALDH1A1 (0.52) MAPTGAAALDH1A1L3MBTL1ALOX15
SCHEMBL21969580 0.80 ALDH1A1 (0.47) MAPTALDH1A1ALOX15SMN1; SMN2KDM4E
SCHEMBL18543085 0.79 ALDH1A1 (0.50) MAPTGAAALDH1A1L3MBTL1ALOX15
SCHEMBL14519094 0.79 MAPT (0.46) MAPTGAAALDH1A1L3MBTL1ALOX15
SCHEMBL15694555 0.78 MMP2 (0.63) MAPTGAAALDH1A1L3MBTL1ALOX15
SCHEMBL29593727 0.78 MAPT (0.57) MAPTGAAALDH1A1ALOX15SMN1; SMN2
SCHEMBL6299937 0.78 MAPT (0.57) MAPTGAAALDH1A1ALOX15SMN1; SMN2
Anthranilic Acid SCHEMBL9615435 0.77 ALDH1A1 (0.62) MAPTGAAALDH1A1L3MBTL1ALOX15
SCHEMBL30762855 0.77 ALDH1A1 (0.48) MAPTGAAALDH1A1L3MBTL1ALOX15
SCHEMBL345557 0.77 ALDH1A1 (0.48) MAPTGAAALDH1A1L3MBTL1ALOX15

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-1777218-B1 Process for the preparation of 4-phenoxy quinoline derivatives EISAI R&D MAN CO LTD (JP) 2008-12-31 EP disclosed