SCHEMBL9637511

SCHEMBL9637511

O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.46
ALDH1A1 P00352 9/20 0.43
TDP1 Q9NUW8 4/20 0.40
TSHR P16473 5/20 0.39
HPGD P15428 3/20 0.39
HIF1A Q16665 3/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 2/20 0.38

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
SCHEMBL9637540 1.00 GPR35 (0.46) GPR35ALDH1A1TDP1TSHRHPGD
SCHEMBL700147 0.82 ALDH1A1 (0.52) GPR35ALDH1A1TDP1TSHRHPGD
SCHEMBL700148 0.82 ALDH1A1 (0.52) GPR35ALDH1A1TDP1TSHRHPGD
SCHEMBL11771330 0.78 ALDH1A1 (0.38) GPR35ALDH1A1TDP1TSHRHPGD
SCHEMBL11771333 0.78 ALDH1A1 (0.38) GPR35ALDH1A1TDP1TSHRHPGD
SCHEMBL5574639 0.78 GPR35 (0.47) GPR35ALDH1A1TDP1TSHRHPGD
SCHEMBL11776726 0.77 KMT2A (0.45) GPR35ALDH1A1TDP1TSHRHPGD
SCHEMBL11776733 0.77 KMT2A (0.45) GPR35ALDH1A1TDP1TSHRHPGD
SCHEMBL7644871 0.76 TSHR (0.62) GPR35ALDH1A1TDP1TSHRHPGD
SCHEMBL213849 0.76 ALDH1A1 (0.62) GPR35ALDH1A1TDP1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081255-A Explosives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-01-14 US disclosed
US-3941853-A HIGH ENERGY EXPLOSIVE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1976-03-02 US disclosed