SCHEMBL4352157

SCHEMBL4352157

COc1ccc2c(C)cccc2c1.O=C(O)CO[N+](=O)OCc1cccc(CO[N+](=O)[O-])n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 2/20 0.36
LMNA P02545 3/20 0.36
HNF4A P41235 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
IDH1 O75874 1/20 0.33
AKR1C2 P52895 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL4559606 0.85 MTNR1A (0.40) FLT3MTNR1AMTNR1BLMNAHNF4A
SCHEMBL7840344 0.81 LMNA (0.41) LMNAMAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL7255521 0.76 MEN1 (0.39) MTNR1AMTNR1BLMNAHNF4AMEN1
Methane SCHEMBL4559607 0.72 CYP1A2 (0.40) MTNR1ALMNAMAPTMEN1POLB
Acetic Acid SCHEMBL7936063 0.71 MTNR1A (0.53) FLT3MTNR1AMTNR1BCNR2IDH1
Nitric Acid SCHEMBL4352160 0.71 CYP1A2 (0.40) MTNR1ALMNAMAPTMEN1POLB
Acetic Acid SCHEMBL9228333 0.70 MTNR1A (0.52) FLT3MTNR1AMTNR1BCNR2IDH1
Hydrochloric Acid SCHEMBL1245397 0.70 CNR2 (0.34) MTNR1AMTNR1BLMNACNR2MEN1
Nitric Acid SCHEMBL1246015 0.70 CNR2 (0.34) MTNR1AMTNR1BLMNACNR2MEN1
Acetic Acid SCHEMBL27085298 0.69 MTNR1A (0.51) FLT3MTNR1AMTNR1BLMNACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154999-B1 NITROXYDERIVATIVES HAVING ANTIINFLAMMATORY, ANALGESIC AND ANTITHROMBOTIC ACTIVITY NICOX SA (FR) 2009-04-15 EP disclosed