SCHEMBL21980592

SCHEMBL21980592

Brc1cccc(-c2cc(-c3ccccn3)ccc2-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.51
DCTPP1 Q9H773 1/20 0.43
IDO1 P14902 2/20 0.42
PDK2 Q15119 1/20 0.41
TGFBR1 P36897 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
MAOB P27338 1/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL20593954 0.89 ALDH1A1 (0.44) GRM5DCTPP1PDK2TGFBR1TP53
SCHEMBL19500912 0.86 GRM5 (0.55) GRM5DCTPP1IDO1PDK2GABRA1
SCHEMBL28007678 0.86 GRM5 (0.60) GRM5DCTPP1IDO1GABRA1GABRG2
SCHEMBL647518 0.86 GRM5 (0.64) GRM5DCTPP1IDO1GABRA1GABRG2
SCHEMBL752084 0.84 GRM5 (0.59) GRM5DCTPP1IDO1GABRA1GABRG2
SCHEMBL750065 0.84 GRM5 (0.59) GRM5DCTPP1IDO1GABRA1GABRG2
SCHEMBL751659 0.84 GRM5 (0.59) GRM5DCTPP1IDO1GABRA1GABRG2
SCHEMBL750703 0.84 GRM5 (0.59) GRM5DCTPP1IDO1GABRA1GABRG2
SCHEMBL754066 0.84 GRM5 (0.59) GRM5DCTPP1IDO1GABRA1GABRG2
SCHEMBL752402 0.84 GRM5 (0.59) GRM5DCTPP1IDO1GABRA1GABRG2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11031561-B2 Organic electron transport material and organic electroluminescent element using same DYDEN CORPORATION (JP) 2021-06-08 US disclosed
US-20200168807-A1 ORGANIC ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME DYDEN CORPORATION (JP) 2020-05-28 US disclosed
CN-108475734-B Organic electron transport material and organic electroluminescent element using same 大电株式会社 2020-04-21 CN disclosed