SCHEMBL21765474

SCHEMBL21765474

NOCC(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.64
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 1/20 0.64
HIF1A Q16665 4/20 0.63
EPAS1 Q99814 4/20 0.63
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HSD17B10 Q99714 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MITF O75030 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
PAX8 Q06710 1/20 0.61
KLF5 Q13887 1/20 0.61
DAPK1 P53355 1/20 0.60
PIM3 Q86V86 1/20 0.60

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
SCHEMBL5145754 0.83 KMT2A (0.62) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8914692 0.82 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4268296 0.81 MAPT (0.59) SMN1; SMN2ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL5545852 0.81 CYP2C19 (0.60) SMN1; SMN2NPC1MAPTKDM4E
SCHEMBL2959279 0.81 HIF1A (0.82) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9911424 0.81 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9912441 0.80 NPC1 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28172169 0.80 NPC1 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL18204569 0.80 STAT3 (0.55) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL10632034 0.79 MAPT (0.60) NPC1RAB9AMEN1KMT2AALDH1A1

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-20200061225-A1 ALDEHYDE SCAVENGER AND METHOD FOR REMOVING ALDEHYDES TOSOH CORPORATION (JP) 2020-02-27 US disclosed