SCHEMBL11143341

SCHEMBL11143341

CN(C(=O)CN(CCO)CCO)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
LMNA P02545 4/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 5/20 0.44

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
SCHEMBL11147497 0.92 ALDH1A1 (0.54) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL11146390 0.85 GABRP (0.51) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL11842566 0.83 GABRP (0.54) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL31541246 0.83 GABRP (0.54) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL11146514 0.81 ALDH1A1 (0.54) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL27715947 0.79 ALDH1A1 (0.71) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL11845031 0.79 GABRP (0.43) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL11147223 0.78 GABRP (0.44) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL11149180 0.78 ALDH1A1 (0.46) ALDH1A1GABRPGABRDGABRA1GABRB1
Fumaric Acid SCHEMBL11146204 0.77 ALDH1A1 (0.50) ALDH1A1GABRPGABRDGABRA1GABRB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE31237-E 2-Benzoyl-4-nitroanilides and their use as medicaments PIERRE FABRE S.A. (FR) 1983-05-10 US claimed
EP-0022017-B1 DERIVATIVES OF 2-BENZOYL-4-NITRO ANILIDES, THEIR PREPARATION AND THEIR USE AS MEDICINES PIERRE FABRE S.A. (FR) 1982-05-05 EP claimed
US-4289770-A HYPNOTIC AGENTS FOR TREATMENT OF INSOMNIA PIERRE FABRE S.A. (FR) 1981-09-15 US claimed
US-RE31237-E 2-Benzoyl-4-nitroanilides and their use as medicaments PIERRE FABRE S.A. (FR) 1983-05-10 US disclosed
US-4289770-A HYPNOTIC AGENTS FOR TREATMENT OF INSOMNIA PIERRE FABRE S.A. (FR) 1981-09-15 US disclosed