SCHEMBL11036086

SCHEMBL11036086

Nc1ncc2cc(C(=O)O)cnc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL21945745 0.79 HCAR2 (0.47) MGAMGABRPGABRDGABRA1GABRB1
SCHEMBL20588333 0.75 HPGDS (0.53) MGAMKDM4EALDH1A1LMNAPSMD14
SCHEMBL23756881 0.75 MGAM (0.42) MGAMGABRPGABRDGABRA1GABRB1
SCHEMBL20589264 0.75 MEN1 (0.47) MGAMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL23774876 0.75 MGAM (0.42) MGAMGABRPGABRDGABRA1GABRB1
SCHEMBL23775047 0.75 MGAM (0.42) MGAMGABRPGABRDGABRA1GABRB1
SCHEMBL23757212 0.75 MGAM (0.42) MGAMGABRPGABRDGABRA1GABRB1
SCHEMBL9383113 0.75 MGAM (0.42) MGAMGABRPGABRDGABRA1GABRB1
SCHEMBL186175 0.74 GABRP (0.58) MGAMGABRPGABRDGABRA1GABRB1
SCHEMBL23559590 0.74 TDP1 (0.50) MGAMGABRPGABRDGABRA1GABRB1

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
US-4556709-A BACTERICIDES, FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed