SCHEMBL7319447

SCHEMBL7319447

O=C(O)Cc1nc2cccc([N+](=O)[O-])c2c(=O)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
F2 P00734 1/20 0.42
C1R P00736 1/20 0.42
MAPT P10636 1/20 0.42
ELANE P08246 3/20 0.42
KLK3 P07288 1/20 0.41
TYMS P04818 1/20 0.41
ALDH1A1 P00352 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
HTR2A P28223 1/20 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
SCHEMBL282876 0.75 ELANE (0.62) MEN1KMT2AF2C1RMAPT
SCHEMBL31489848 0.75 MEN1 (0.58) MEN1KMT2AF2C1RMAPT
SCHEMBL17770598 0.75 MEN1 (0.58) MEN1KMT2AF2C1RMAPT
SCHEMBL6992565 0.73 ELANE (0.66) MEN1KMT2AC1RELANENR4A1
SCHEMBL7317935 0.73 KDM4E (0.52) MEN1KMT2AMAPTELANEALDH1A1
SCHEMBL15519149 0.72 ELANE (0.50) MEN1KMT2AF2C1RMAPT
SCHEMBL10662992 0.72 ELANE (0.63) MEN1KMT2AF2C1RMAPT
SCHEMBL912480 0.72 KMT2A (0.73) MEN1KMT2AF2C1RMAPT
SCHEMBL27648083 0.71 ALDH1A1 (0.57) MEN1KMT2AF2C1RMAPT
SCHEMBL26672077 0.71 TYMS (0.42) MEN1KMT2AF2C1RMAPT

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-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 US disclosed
WO-1999048878-A1 HETEROCYCLIC COMPOUNDS REGULATING CLOTTING NOVO NORDISK A/S (DK) 1999-09-30 WO disclosed