SCHEMBL21781234

SCHEMBL21781234

Cn1c2ccccc2c2c3oc4ccc5c6ccccc6oc5c4c3ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.43
NQO2 P16083 1/20 0.41
MAPT P10636 4/20 0.37
KDM4E B2RXH2 4/20 0.37
HTT P42858 2/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36

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
SCHEMBL13183691 0.95 GPR3 (0.47) GPR3NQO2MAPTKDM4EHTT
SCHEMBL17834267 0.86 GPR3 (0.54) GPR3NQO2MAPTKDM4EHTT
SCHEMBL19696349 0.81 MAPT (0.35) GPR3NQO2MAPTKDM4EHTT
SCHEMBL15614129 0.81 RXRA (0.42) MAPTKDM4EGABRPGABRDGABRA1
SCHEMBL19652580 0.80 KDM4E (0.40) GPR3MAPTKDM4EHTTMEN1
SCHEMBL16437616 0.80 KDM4E (0.46) MAPTKDM4EHTTMEN1ALDH1A1
SCHEMBL18566144 0.80 PGR (0.36) GPR3MAPTKDM4EHTTMEN1
SCHEMBL13183682 0.80 GPR3 (0.50) GPR3NQO2MAPTKDM4EHTT
SCHEMBL21952755 0.79 L3MBTL1 (0.45) GPR3MAPTKDM4EMEN1ALDH1A1
SCHEMBL21031744 0.78 GPR3 (0.39) GPR3NQO2MAPTKDM4EHTT

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-3617202-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2020-03-04 EP disclosed