SCHEMBL1824754

SCHEMBL1824754

O=C(O)Oc1cc2cnc(Cl)cc2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31
CHEK1 O14757 1/20 0.30
ENPP1 P22413 1/20 0.30

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
SCHEMBL3138608 0.88 CHEK1 (0.41) HCAR2NAPRTGABRPGABRDGABRA1
SCHEMBL3127269 0.78 CHEK1 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30189371 0.76 GPR35 (0.51)
SCHEMBL1824752 0.76 GPR35 (0.51)
SCHEMBL3145975 0.75 HRH4 (0.42)
SCHEMBL3418189 0.74 ALOX15 (0.52)
SCHEMBL3141113 0.73 DAO (0.51)
SCHEMBL3137099 0.72 NR3C1 (0.34)
SCHEMBL3136216 0.72
SCHEMBL9234544 0.72 ALDH1A1 (0.39)

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
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP claimed
EP-2493844-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
WO-2011054436-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2011-05-12 WO disclosed