SCHEMBL9265192

SCHEMBL9265192

O=[N+]([O-])N(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 8/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 4/20 0.42
CA2 P00918 1/20 0.42
AOC3 Q16853 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8781469 0.82 CRHBP (0.47) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL6129082 0.78 CRHBP (0.49) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL11745244 0.78 CRHBP (0.50) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL2325614 0.78 AOC3 (0.48) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL9404109 0.78 ALDH1A1 (0.52) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL21219506 0.77 CRHBP (0.47) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL2029473 0.77 CRHBP (0.51) CRHBPCRHR2ALDH1A1TSHRLMNA
SCHEMBL3240015 0.75 CRHBP (0.42) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL3240019 0.75 CRHBP (0.46) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL9255683 0.74 ALDH1A1 (0.71) CRHBPCRHR2CYP1A2CYP2C19CYP2D6

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