SCHEMBL23813009

SCHEMBL23813009

Nc1cc2ncc(C(=O)O)cc2cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.50
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 0.40
GABRQ Q9UN88 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MEN1 O00255 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
SCHEMBL7086111 0.86 MGAM (0.56) MGAMGABRPGABRDGABRA1GABRB1
SCHEMBL19021347 0.82 MGAM (0.51) MGAMKDM4EHCAR2ALDH1A1LMNA
SCHEMBL19021373 0.81 MGAM (0.50) MGAMGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL18987456 0.81 MGAM (0.50) MGAMKDM4EHCAR2ALDH1A1LMNA
SCHEMBL19021386 0.81 MGAM (0.50) MGAMGABRPGABRDGABRA1GABRB1
SCHEMBL24358304 0.81 MGAM (0.50) MGAMHCAR2PSMD14PDGFRBPDGFRA
Bromide SCHEMBL18987913 0.81 MGAM (0.50) MGAMKDM4EHCAR2ALDH1A1LMNA
SCHEMBL8519849 0.79 MGAM (0.63) MGAMGABRPGABRDGABRA1GABRB1
SCHEMBL1645675 0.78 MGAM (0.47) MGAMHCAR2PSMD14PDGFRBPDGFRA
SCHEMBL18987942 0.77 MGAM (0.50) MGAMHCAR2PSMD14PDGFRBPDGFRA

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
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 EP disclosed