SCHEMBL30231122

SCHEMBL30231122

O=C(Cc1cccc[n+]1[O-])N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ACHE P22303 1/20 0.40
NAAA Q02083 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
SCHEMBL31070228 0.74 ALDH1A1 (0.51) MAPTNPC1TDP1SMN1; SMN2HPGD
SCHEMBL5217903 0.74 ALDH1A1 (0.51) MAPTNPC1TDP1SMN1; SMN2HPGD
SCHEMBL5322137 0.73 ALDH1A1 (0.46) KMT2AMAPTNPC1TDP1MEN1
SCHEMBL11386623 0.73 DPP4 (0.37) ALDH1A1
Fluoride SCHEMBL27614043 0.71 ALDH1A1 (0.45) KMT2AMAPTNPC1TDP1SMN1; SMN2
SCHEMBL30522451 0.71 POLB (0.52) KMT2ANPC1TDP1MEN1POLB
SCHEMBL874261 0.71 NPC1 (0.68) KMT2AMAPTNPC1TDP1MEN1
SCHEMBL8863043 0.70 PTPN1 (0.48) KMT2AMAPTNPC1TDP1MEN1
SCHEMBL1492483 0.69 NPC1 (0.69) KMT2AMAPTNPC1TDP1MEN1
SCHEMBL8599235 0.69 NPC1 (0.69) KMT2AMAPTNPC1TDP1MEN1

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-4157827-A1 IL-17A MODULATORS SANOFI (FR) 2023-04-05 EP disclosed