SCHEMBL20327461

SCHEMBL20327461

c1ccc(C2(c3cccnc3)c3ccccc3-c3cc4c(cc32)[nH]c2ccccc24)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.40
GABRD O14764 3/20 0.40
GABRA1 P14867 3/20 0.40
GABRB1 P18505 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
GABRA4 P48169 3/20 0.40
GABRE P78334 3/20 0.40
GABRA6 Q16445 3/20 0.40
GABRG1 Q8N1C3 3/20 0.40
GABRG3 Q99928 3/20 0.40
GABRQ Q9UN88 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDO2 P48775 2/20 0.40
ACHE P22303 1/20 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
SCHEMBL20327392 1.00 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20327751 0.95 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20327791 0.89 AHR (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL783132 0.89 AHR (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDAHR
SCHEMBL20327439 0.84 AHR (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2603648 0.84 AHR (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDAHR
SCHEMBL20327361 0.81 AHR (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL802805 0.81 AHR (0.55) KDM4EALDH1A1HPGDAHRMAPT
SCHEMBL802247 0.81 AHR (0.55) KDM4EALDH1A1HPGDAHRMAPT
SCHEMBL30487042 0.81 AHR (0.55) KDM4EALDH1A1HPGDAHRMAPT

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-2018117561-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 2018-06-28 WO disclosed