SCHEMBL24612947

SCHEMBL24612947

NC1=CC(c2ccco2)CC=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.36
NOS2 P35228 3/20 0.35
NOS3 P29474 2/20 0.35
GAA P10253 1/20 0.35
CHRM5 P08912 10/20 0.34
CHRM3 P20309 10/20 0.34
CHRM1 P11229 9/20 0.34
CHRM2 P08172 9/20 0.34
CHRM4 P08173 9/20 0.34
APOBEC3A P31941 1/20 0.34
RECQL P46063 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL23096896 0.83 CHRM5 (0.39) MAPTTDP1POLBKMT2ANPSR1
SCHEMBL13716805 0.72 MAPT (0.35) MAPTTDP1POLBKMT2ANPSR1
SCHEMBL6940138 0.71
SCHEMBL21402172 0.64
SCHEMBL23431023 0.61 SLC6A2 (0.31) MAPTKMT2AALDH1A1CHRM5CHRM3
SCHEMBL9825250 0.61 POLB (0.53) MAPTTDP1POLBKMT2ANPSR1
SCHEMBL28726197 0.61
SCHEMBL10747293 0.61 TDP1 (0.48) MAPTTDP1POLBKMT2ANPSR1
SCHEMBL6755485 0.59 CHRM5 (0.43) MAPTTDP1POLBKMT2ANPSR1
SCHEMBL1386940 0.59 POLB (0.52) MAPTTDP1POLBKMT2ANPSR1

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
EP-4026839-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2022-07-13 EP disclosed