SCHEMBL26116262

SCHEMBL26116262

B.OCCCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.54
LOXL2 Q9Y4K0 2/20 0.50
HRH3 Q9Y5N1 2/20 0.46
HRH4 Q9H3N8 1/20 0.46
NAAA Q02083 1/20 0.44
CA2 P00918 1/20 0.44
CYP4A11 Q02928 1/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
HIF1A Q16665 1/20 0.39

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
SCHEMBL279761 0.98 HRH1 (0.56) HRH1LOXL2HRH3HRH4NAAA
SCHEMBL4444401 0.91 HRH1 (0.59) HRH1LOXL2HRH3HRH4NAAA
SCHEMBL5540660 0.88 HRH1 (0.63) HRH1LOXL2HRH3HRH4NAAA
Hydrochloric Acid SCHEMBL28059639 0.88 HRH1 (0.57) HRH1LOXL2HRH3HRH4NAAA
SCHEMBL271114 0.88 HRH1 (0.63) HRH1LOXL2HRH3HRH4NAAA
Ethylamine SCHEMBL6992203 0.87 HRH1 (0.57) HRH1LOXL2HRH3HRH4NAAA
SCHEMBL9164808 0.87 NPC1 (0.50) HRH1LOXL2HRH3HRH4NAAA
Hydrochloric Acid SCHEMBL7424038 0.86 HRH1 (0.61) HRH1LOXL2HRH3HRH4NAAA
4-(2-Hydroxyethyl)Pyridine SCHEMBL26113646 0.85 LOXL2 (0.54) HRH1LOXL2HRH3HRH4CA2
4-(2-Hydroxyethyl)Pyridine SCHEMBL151648 0.82

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
WO-2023187012-A1 COMPOSITIONS INCLUDING AQUEOUS AMINE BORANE COMPLEXES AND POLYNUCLEOTIDES, AND METHODS OF USING THE SAME TO DETECT METHYLCYTOSINE OR HYDROXYMETHYLCYTOSINE ILLUMINA CAMBRIDGE LIMITED (GB) 2023-10-05 WO disclosed