SCHEMBL8901913

SCHEMBL8901913

CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2[N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.45
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 8/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
VCAM1 P19320 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 2/20 0.34

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
SCHEMBL31137279 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL31500097 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL31040836 0.75 VCAM1 (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL11247732 0.75 CASP6 (0.57) METALDH1A1MAPTKMT2AVCAM1
SCHEMBL17287390 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL25484994 0.73 GPR35 (0.47) METALDH1A1MAPTVCAM1GABRA1
SCHEMBL1027488 0.73 TSHR (0.62) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL557153 0.73 VCAM1 (0.46) METALDH1A1MAPTKMT2AMEN1
SCHEMBL24541136 0.72 VCAM1 (0.43) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL30288971 0.72 HCAR3 (0.50) ALDH1A1KDM4EMAPTKMT2AVCAM1

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
WO-1997033872-A1 ANTI-VIRAL 4-ACYLAMINO-3-[IMIDAZOL-I-YL]-BENZOIC ACID DERIVATIVES BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1997-09-18 WO disclosed