SCHEMBL9239683

SCHEMBL9239683

O=[N+]([O-])c1ccc2oc3ccc(Cl)cc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.57
GABRD O14764 3/20 0.57
GABRA1 P14867 3/20 0.57
GABRB1 P18505 3/20 0.57
GABRG2 P18507 3/20 0.57
GABRB3 P28472 3/20 0.57
GABRA5 P31644 3/20 0.57
GABRA3 P34903 3/20 0.57
GABRA2 P47869 3/20 0.57
GABRB2 P47870 3/20 0.57
GABRA4 P48169 3/20 0.57
GABRE P78334 3/20 0.57
GABRA6 Q16445 3/20 0.57
GABRG1 Q8N1C3 3/20 0.57
GABRG3 Q99928 3/20 0.57
GABRQ Q9UN88 3/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
KDM1A O60341 1/20 0.54

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
SCHEMBL3955123 0.92 MEN1 (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6650965 0.88 MGAM (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2340821 0.81 MAPT (0.81) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22249800 0.81 EGFR (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9189119 0.80 KDM1A (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9238146 0.79 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2282515 0.79 AHR (0.78) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13855909 0.76 GABRP (0.75) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17396637 0.76 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL6526017 0.76 MEN1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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-0652214-A1 N-Aryl-2-cyano-3-hydroxy propenamide derivatives, a method for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1995-05-10 EP disclosed