SCHEMBL7097302

SCHEMBL7097302

COC(=O)Oc1cc([N+](=O)[O-])no1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 3/20 0.34
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ERN1 O75460 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7512641 0.75 CYP1A2 (0.37) CYP1A2POLBKMT2ANPC1RAB9A
SCHEMBL6889201 0.74 LMNA (0.39) LMNACYP1A2POLBKMT2ANPC1
SCHEMBL6167693 0.69 DYRK1A (0.35) POLBKMT2AGAAMEN1L3MBTL1
SCHEMBL6883982 0.68 MAPK1 (0.36) LMNACYP1A2KMT2ANPC1RAB9A
SCHEMBL7510038 0.67 SMPD1 (0.46) LMNAMAPTALDH1A1
SCHEMBL6887963 0.66
SCHEMBL6889005 0.65 NPC1 (0.43) LMNAPOLBKMT2ANPC1RAB9A
SCHEMBL6889892 0.64 IDO1 (0.33) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL6888757 0.62 NOTUM (0.41) POLBGAAMAPTERN1
SCHEMBL1439154 0.62 HSD17B10 (0.42) LMNACYP1A2POLBKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335909-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS Bayer Aktiengesellschaft (DE) 2003-08-20 EP claimed
WO-2002034731-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 WO claimed
EP-1335909-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS Bayer Aktiengesellschaft (DE) 2003-08-20 EP disclosed
WO-2002034731-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 WO disclosed