SCHEMBL21067347

SCHEMBL21067347

O=C1/C(=N/O)c2cc(F)ccc2N1Cc1cc(F)cc2c1OCOC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
CHRM5 P08912 2/20 0.40
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
TRPA1 O75762 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
CXCR5 P32302 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
APEX1 P27695 1/20 0.36
PARK7 Q99497 1/20 0.34
ALDH3A1 P30838 1/20 0.34

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
SCHEMBL13627978 1.00 MAPK8 (0.40) MAPK8CHRM5HCRTR1HCRTR2TRPA1
SCHEMBL13627961 0.92 MAPK8 (0.40) MAPK8CHRM5HCRTR1HCRTR2NPC1
SCHEMBL13628317 0.91 MAPK8 (0.38) MAPK8HCRTR1HCRTR2NPC1RAB9A
SCHEMBL13628226 0.91 MAPK8 (0.40) MAPK8CHRM5HCRTR1HCRTR2NPC1
SCHEMBL13628213 0.91 UCHL1 (0.40) MAPK8HCRTR1HCRTR2NPC1RAB9A
SCHEMBL14269960 0.91 UCHL3 (0.43) MAPK8HCRTR1HCRTR2NPC1RAB9A
SCHEMBL14269986 0.91 POLB (0.39) MAPK8HCRTR1HCRTR2NPC1RAB9A
SCHEMBL13628284 0.90 MAPK8 (0.38) MAPK8CHRM5HCRTR1HCRTR2TRPA1
SCHEMBL13198007 0.89 NPC1 (0.40) MAPK8CHRM5HCRTR1HCRTR2TRPA1
SCHEMBL13628324 0.89 TSHR (0.39) MAPK8CHRM5HCRTR1HCRTR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed