SCHEMBL9816486

SCHEMBL9816486

COC(C)CNC(=O)Oc1cc([N+](=O)[O-])c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
APEX1 P27695 1/20 0.38
CASP6 P55212 1/20 0.38
P2RY4 P51582 6/20 0.35
P2RY2 P41231 3/20 0.34
CYP3A4 P08684 2/20 0.34
NPC1 O15118 1/20 0.34
MET P08581 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL10607346 0.85 ALDH1A1 (0.41) POLBMAPTAPEX1CASP6P2RY4
SCHEMBL11113989 0.83 ALDH1A1 (0.44) POLBMAPTAPEX1CASP6NPC1
SCHEMBL10606221 0.82 MGLL (0.48) KMT2A
SCHEMBL10696752 0.79 MAPT (0.48) POLBMAPTAPEX1CASP6P2RY4
SCHEMBL3375833 0.79 MAPT (0.48) POLBMAPTAPEX1CASP6P2RY4
SCHEMBL10607101 0.78 MAPT (0.47) POLBMAPTAPEX1CASP6P2RY2
SCHEMBL11115398 0.75 MAPT (0.44) POLBMAPTAPEX1CASP6P2RY4
SCHEMBL11110059 0.73 ELANE (0.48) POLBMAPTAPEX1CASP6CYP3A4
SCHEMBL11212007 0.72 MAPT (0.55) POLBMAPTAPEX1CASP6P2RY2
SCHEMBL10891258 0.71 MEN1 (0.49) POLBMAPTAPEX1CASP6CYP3A4

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-0279437-B1 PROCESS FOR THE PREPARATION OF A BLUE ANTHRAQUINOIC DISPERSE DYE BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed