SCHEMBL2580052

SCHEMBL2580052

N#Cc1ccccc1-c1ccnnn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA5 P31644 1/20 0.46
ESR2 Q92731 1/20 0.41
ATR Q13535 2/20 0.37
TSHR P16473 1/20 0.35
TRPA1 O75762 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
PTGES O14684 1/20 0.34
PRKDC P78527 1/20 0.34
ATM Q13315 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA3 P42263 1/20 0.34
PDE4D Q08499 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
USP8 P40818 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
SCHEMBL31531726 1.00 GABRG2 (0.46) GABRG2GABRB3GABRA3GABRA5ESR2
SCHEMBL31275041 0.85 SMN1; SMN2 (0.37) GABRG2GABRB3GABRA3GABRA5ESR2
SCHEMBL10936686 0.82 GABRG2 (0.30) GABRG2GABRB3GABRA3GABRA5
SCHEMBL16731967 0.80 ALDH1A1 (0.32)
SCHEMBL28962149 0.80 GABRG2 (0.51) GABRG2GABRB3GABRA3GABRA5ESR2
SCHEMBL2576514 0.80 KCNN4 (0.36) GABRG2GABRB3GABRA3GABRA5
SCHEMBL7913045 0.72 NPC1 (0.44) TSHRATM
SCHEMBL973015 0.72 GRIA1 (0.51) GABRG2GABRB3GABRA3GABRA5ESR2
SCHEMBL6017122 0.72 ALDH1A1 (0.52) ATRADORA2A
SCHEMBL22344712 0.72 LMNA (0.47) ATRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112707871-B Electronic active material, exciplex, organic electroluminescent device and application 常州强力昱镭光电材料有限公司 2022-08-19 CN disclosed
CN-112707871-A Electronic active material, exciplex, organic electroluminescent device and application 常州强力昱镭光电材料有限公司 2021-04-27 CN disclosed
EP-2560488-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE Cytokinetics, Inc. (US) 2013-02-27 EP disclosed
WO-2011133920-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed