SCHEMBL1907077

SCHEMBL1907077

OB(O)[n+]1ccccc1-[n+]1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ PCSK9 Q8NBP7 1/20 0.32
▸ ORAI1 Q96D31 1/20 0.32
▸ ORAI2 Q96SN7 1/20 0.32
▸ ORAI3 Q9BRQ5 1/20 0.32
▸ TRPV6 Q9H1D0 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL4195335 0.65 HDAC8 (0.46) RAB9A
SCHEMBL1532288 0.64 SLC22A2 (0.31) —
SCHEMBL14562400 0.63 POLB (0.35) NPC1RAB9A
Hydrochloric Acid SCHEMBL29004524 0.62 CA12 (0.30) CA14
SCHEMBL29056348 0.62 SLC22A2 (0.30) —
SCHEMBL29128753 0.62 SLC22A2 (0.30) —
SCHEMBL776579 0.61 NPC1 (0.37) NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL29004526 0.61 — —
Iodide SCHEMBL8962414 0.60 KDM4E (0.44) NPC1MAPTRAB9A
SCHEMBL15153589 0.60 SMN1; SMN2 (0.34) NPC1RAB9A

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-2011053247-A1 METHOD FOR THE DETECTION OF AN ANALYTE BY SURFACE ENHANCED RAMAN SPECTROSCOPY (SERS) AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-05-05 — — WO disclosed
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