SCHEMBL8599052

SCHEMBL8599052

CCCCCC(=O)c1cc(N)cnc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.35
PLA2G2A P14555 1/20 0.35
PLA2G5 P39877 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35

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
SCHEMBL8597941 0.81 HTR2A (0.43) HTTL3MBTL1LMNAALDH1A1CA2
SCHEMBL8599426 0.81 ESR1 (0.48) L3MBTL1LMNAALDH1A1
SCHEMBL8597579 0.76 HTT (0.40) HTTALDH1A1HSD17B3FAAH
SCHEMBL8598549 0.76 GABRP (0.43) HTTL3MBTL1LMNAFFAR1PLA2G2A
SCHEMBL8600798 0.76 FAAH (0.46) HTTALDH1A1FAAH
SCHEMBL8563141 0.75 ALDH1A1 (0.44) L3MBTL1LMNAGABRPGABRDGABRA1
SCHEMBL8566366 0.75 ALDH1A1 (0.42) LMNAALDH1A1
SCHEMBL8602297 0.75 L3MBTL1 (0.40) HTTL3MBTL1GABRPGABRDGABRA1
SCHEMBL8925208 0.72 HTT (0.38) HTTLMNAALDH1A1HSD17B3FAAH
SCHEMBL8596090 0.71 TXNRD1 (0.41) HTTL3MBTL1LMNAALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed