SCHEMBL11384657

SCHEMBL11384657

CN(C(=O)Nc1ccccc1)c1ccc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.64
GABRD O14764 2/20 0.64
GABRA1 P14867 2/20 0.64
GABRB1 P18505 2/20 0.64
GABRG2 P18507 2/20 0.64
GABRB3 P28472 2/20 0.64
GABRA5 P31644 2/20 0.64
GABRA3 P34903 2/20 0.64
GABRA2 P47869 2/20 0.64
GABRB2 P47870 2/20 0.64
GABRA4 P48169 2/20 0.64
GABRE P78334 2/20 0.64
GABRA6 Q16445 2/20 0.64
GABRG1 Q8N1C3 2/20 0.64
GABRG3 Q99928 2/20 0.64
GABRQ Q9UN88 2/20 0.64
C5AR1 P21730 1/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
GLA P06280 1/20 0.51

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
SCHEMBL11037113 0.84 GABRP (0.73) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30310279 0.79 GABRP (0.79) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11844102 0.79 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11680657 0.79 GABRP (0.79) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11850703 0.78 GABRP (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10805397 0.78 GABRP (0.77) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5023108 0.78 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18076411 0.78 GABRP (0.72) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11604854 0.77 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11850706 0.77 GABRP (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4258187-A REACTING 2-AMINO-BENZOPHENONE DERIVATIVES WITH A HYDROXYLAMINE SALT E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 US disclosed
EP-0000149-A1 Process for preparing quinazolinone oxides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-01-10 EP disclosed