SCHEMBL28448178

SCHEMBL28448178

O=[N+]([O-])c1cc(Cl)c(Oc2ccc3c(c2)OCO3)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
MAOB P27338 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
PTPN1 P18031 1/20 0.40
PDE7A Q13946 1/20 0.40
MGLL Q99685 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 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
SCHEMBL16023929 0.81 ALDH1A1 (0.59) MAPTALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL28446570 0.79 MAPK1 (0.64) MAPTALDH1A1MAPK1MAOBSMN1; SMN2
SCHEMBL29946473 0.77 MAPT (0.46) MAPTALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL11291316 0.74 PIN1 (0.51) MAPTALDH1A1HTTMAOBSMN1; SMN2
SCHEMBL6660068 0.74 THRA (0.54) MAPTALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL3227962 0.74 MAPK1 (0.55) MAPTALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL28439509 0.74 ALDH1A1 (0.49) MAPTALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL22069567 0.74 HSPB1 (0.56) MAPTALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL22041609 0.74 ALDH1A1 (0.49) MAPTALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL6273882 0.73 ALDH1A1 (0.50) MAPTALDH1A1MAPK1HTTSMN1; SMN2

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
CN-110452167-B Quinoline derivatives, preparation method and application thereof 东莞市东阳光农药研发有限公司 2020-08-21 CN disclosed