SCHEMBL9751253

SCHEMBL9751253

Nc1c(F)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
CYP3A4 P08684 2/20 0.63
LMNA P02545 1/20 0.56
HIF1A Q16665 2/20 0.55
TDP1 Q9NUW8 6/20 0.52
GPR35 Q9HC97 4/20 0.52
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TTR P02766 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL2785910 0.87 ALDH1A1 (0.56) ALDH1A1CYP3A4LMNAHIF1ATDP1
SCHEMBL266593 0.85 ALDH1A1 (0.76) ALDH1A1CYP3A4LMNAHIF1ATDP1
SCHEMBL29973143 0.82 ALDH1A1 (0.67) ALDH1A1CYP3A4LMNAHIF1ATDP1
SCHEMBL1464693 0.82 ALDH1A1 (0.67) ALDH1A1CYP3A4LMNAHIF1ATDP1
SCHEMBL602423 0.82 TDP1 (0.53) ALDH1A1CYP3A4LMNAHIF1ATDP1
SCHEMBL240605 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4LMNAHIF1ATDP1
SCHEMBL430969 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNAHIF1ATDP1
SCHEMBL5556376 0.79 ALDH1A1 (0.68) ALDH1A1CYP3A4LMNAHIF1ATDP1
SCHEMBL9811597 0.79 ALDH1A1 (0.59) ALDH1A1CYP3A4HIF1ATDP1GPR35
SCHEMBL20535873 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4HIF1ATDP1MAPT

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-0406334-A4 HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION 1991-11-13 EP disclosed
EP-0406334-A1 HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION NELLCOR INCORPORATED (US) 1991-01-09 EP disclosed
WO-1990000572-A1 HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION NELLCOR INCORPORATED (US) 1990-01-25 WO disclosed