SCHEMBL24947672

SCHEMBL24947672

CNc1ccc(C#Cc2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.59
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KCNH2 Q12809 1/20 0.50
ACACB O00763 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
NLRP3 Q96P20 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL161436 0.87 RAB9A (0.67) APPNPC1RAB9AGAAMAPT
Hydrochloric Acid SCHEMBL163829 0.84 GAA (0.64) APPNPC1RAB9AGAAMAPT
SCHEMBL674764 0.84 APP (0.77) APPNPC1RAB9AGAAMAPT
SCHEMBL8422557 0.84 APP (0.77) APPRAB9AMAPTKDM4ETHRB
SCHEMBL10300057 0.84 APP (0.77) APPNPC1RAB9AGAAMAPT
SCHEMBL9715639 0.82 APP (0.74) APPNPC1RAB9AGAAMAPT
Acetonitrile SCHEMBL6671920 0.81 GAA (0.54) APPNPC1RAB9AGAAMAPT
SCHEMBL13127250 0.80 MAPT (0.58) APPNPC1RAB9AGAAMAPT
SCHEMBL20123327 0.80 MAPT (0.81) APPNPC1RAB9AGAAMAPT
SCHEMBL13107871 0.80 MAPT (0.58) APPNPC1RAB9AGAAMAPT

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
US-20230037175-A1 HIGH REFRACTIVE INDEX ORGANIC SOLID CRYSTAL WITH CONTROLLED SURFACE ROUGHNESS FACEBOOK TECHNOLOGIES, LLC 2023-02-02 US disclosed