SCHEMBL21067775

SCHEMBL21067775

O=C1/C(=N\O)c2c(/C=C/c3ccccc3)cccc2N1Cc1cc(F)cc2c1OCOC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAPK8 P45983 1/20 0.33
CXCR5 P32302 1/20 0.33
APEX1 P27695 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
GALR3 O60755 1/20 0.32
NR2F2 P24468 1/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL21067777 1.00 POLB (0.36) POLBNPC1RAB9ANPSR1TSHR
SCHEMBL13628282 0.91 NPC1 (0.36) POLBNPC1RAB9ANPSR1TSHR
SCHEMBL13628253 0.89 NPC1 (0.37) POLBNPC1RAB9ANPSR1TSHR
SCHEMBL13628298 0.87 RAB9A (0.36) POLBNPC1RAB9ANPSR1TSHR
SCHEMBL13628139 0.85 NPC1 (0.37) POLBNPC1RAB9ANPSR1TSHR
SCHEMBL13628191 0.85 NPC1 (0.39) POLBNPC1RAB9ANPSR1TSHR
SCHEMBL13628220 0.85 MAPK8 (0.37) POLBNPC1RAB9ANPSR1TSHR
SCHEMBL13628138 0.85 HCRTR1 (0.36) POLBNPC1RAB9ANPSR1TSHR
SCHEMBL13628280 0.85 HCRTR1 (0.38) POLBNPC1RAB9ANPSR1TSHR
SCHEMBL13628244 0.85 NPC1 (0.38) POLBNPC1RAB9ANPSR1TSHR

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