SCHEMBL7697347

SCHEMBL7697347

NCc1cc(I)cc(I)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.36
HRH3 Q9Y5N1 1/20 0.36
IDO1 P14902 2/20 0.34
ABAT P80404 1/20 0.33
PNMT P11086 1/20 0.33
ENPP2 Q13822 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
CYP2A6 P11509 1/20 0.33
RAD52 P43351 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
RAB9A P51151 1/20 0.31
HIF1A Q16665 1/20 0.31
LOX P28300 1/20 0.31
LOXL3 P58215 1/20 0.31
TAAR1 Q96RJ0 1/20 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
SCHEMBL8364823 0.82 TAAR1 (0.34) LOXL2CYP2A6RAD52KMT2ARXFP1
SCHEMBL20844630 0.82 PNMT (0.46) LOXL2IDO1PNMTCYP1A2CYP2D6
SCHEMBL2017927 0.82 ACHE (0.39) ABATENPP2CYP1A2CYP2D6CYP2C19
SCHEMBL19383085 0.82 LOXL2 (0.42) LOXL2IDO1TAAR1
SCHEMBL16635217 0.82 IDO1 (0.41) IDO1TAAR1
SCHEMBL23133395 0.82
SCHEMBL14169221 0.77 IDO1 (0.44) LOXL2IDO1LOXTAAR1
SCHEMBL27884538 0.77 MAOB (0.42) LOXL2IDO1LOXTAAR1
SCHEMBL63392 0.75 LOXL2 (0.47) LOXL2HRH3ABATPNMTENPP2
Hydrochloric Acid SCHEMBL32675272 0.75 LOXL2 (0.47) LOXL2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
WO-2019057946-A1 MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-28 WO disclosed
US-6337368-B1 WATER INSOLUBLE CARRIERS WITH P-NITROBENZOIC ACID, AROMATIC AMINES, AMIDES, SULFONAMIDES AND HYDRAZIDES KANEKA CORPORATION (JP) 2002-01-08 US disclosed
EP-1008383-A1 LIPOPROTEIN ADSORBENT AND LIPOPROTEIN ADSORBER MADE WITH THE USE OF THE SAME KANEKA CORPORATION (JP) 2000-06-14 EP disclosed