SCHEMBL9265199

SCHEMBL9265199

NC(c1ccccc1[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR35 Q9HC97 1/20 0.42
PLAU P00749 1/20 0.42
PTPRC P08575 1/20 0.42
S100A4 P26447 1/20 0.42
PDE7A Q13946 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSD P07339 1/20 0.41
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 1/20 0.39

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
SCHEMBL7775829 0.88 CYP1A2 (0.58) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL18912100 0.83 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL30100732 0.80 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL31134288 0.80 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL16011382 0.80 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL14436535 0.80 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL12232403 0.80 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL888030 0.80 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL30487743 0.80 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL27859392 0.80 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRHSD17B10TDP1

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
US-5431807-A Multimodal chromatographic separation media and process for using same CORNELL RESEARCH FOUNDATION, INC. (US) 1995-07-11 US disclosed
US-5316680-A Multimodal chromatographic separation media and process for using same CORNELL RESEARCH FOUNDATION, INC. (US) 1994-05-31 US disclosed
WO-1994008686-A1 MULTIMODAL CHROMATOGRAPHIC SEPARATION MEDIA AND PROCESS FOR USINGSAME CORNELL RESEARCH FOUNDATION, INC. (US) 1994-04-28 WO disclosed