SCHEMBL30167903

SCHEMBL30167903

O=NNc1ccccc1NN=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
RAB9A P51151 7/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 6/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RECQL P46063 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
HPGD P15428 2/20 0.31

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
SCHEMBL4897311 1.00 ALDH1A1 (0.38) ALDH1A1RAB9AMAPTHTTNPC1
SCHEMBL18035433 0.82 MDM4 (0.44) ALDH1A1RAB9AMAPTHTT
SCHEMBL131814 0.82 GAA (0.45) ALDH1A1RAB9AMAPTHTTNPC1
SCHEMBL8346131 0.82 NPC1 (0.50) ALDH1A1RAB9AMAPTHTTNPC1
SCHEMBL30393394 0.82 GAA (0.45) ALDH1A1RAB9AMAPTHTTNPC1
SCHEMBL3842734 0.78 KDM4E (0.52) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL3052363 0.78 GRIN2D (0.46) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL4363328 0.77 ALDH1A1 (0.57) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL9576920 0.75 HTT (0.42) ALDH1A1RAB9AMAPTHTTMEN1
SCHEMBL28535884 0.72 KMT2A (0.56) ALDH1A1RAB9AMAPTNPC1MEN1

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-2651991-B2 USE OF A POLYMER OF ACRYLIC ACID AS DISPERSANT IN MINERAL PROCESSING BASF SE (DE) 2022-12-21 EP disclosed