SCHEMBL20977807

SCHEMBL20977807

Cn1c2ccccc2c2cc(-c3ccccc3-c3cccc4[nH]c5ccccc5c34)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.45
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
GPR3 P46089 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL25748864 0.88 GPR3 (0.44) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL17809440 0.84 GPR3 (0.48) GPR3KDM4EMAPTMEN1ALDH1A1
SCHEMBL17809442 0.83 GPR3 (0.59) GPR3KDM4EMAPTMEN1ALDH1A1
SCHEMBL25964145 0.82 GABRP (0.49) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL19563161 0.82 GABRP (0.44) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL29506375 0.80 KDM4E (0.46) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL16168582 0.80 KDM4E (0.46) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL19563075 0.79 GPR3 (0.50) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL18058376 0.79 GPR3 (0.50) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL13445024 0.79 AHR (0.42) AHRGABRPGABRDGABRA1GABRB1

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-3480278-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY APPARATUS Samsung SDI Co., Ltd (KR) 2019-05-08 EP disclosed