SCHEMBL9816533

SCHEMBL9816533

NC(=O)c1cc([N+](=O)[O-])c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.65
MAPT P10636 3/20 0.51
POLB P06746 2/20 0.51
APEX1 P27695 1/20 0.51
CASP6 P55212 1/20 0.51
MAPK1 P28482 3/20 0.50
MEN1 O00255 2/20 0.50
THRB P10828 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
PKM P14618 1/20 0.50
MCL1 Q07820 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL31361445 0.89 MAPT (0.65) GRK6MAPTPOLBAPEX1CASP6
SCHEMBL5011555 0.89 MAPT (0.65) GRK6MAPTPOLBAPEX1CASP6
Hydrochloric Acid SCHEMBL10886949 0.88 MAPT (0.63) GRK6MAPTPOLBAPEX1CASP6
SCHEMBL10392723 0.88 MAPT (0.50) GRK6MAPTPOLBAPEX1CASP6
SCHEMBL10885230 0.82 MAPT (0.47) GRK6MAPTPOLBAPEX1CASP6
SCHEMBL11212007 0.82 MAPT (0.55) GRK6MAPTPOLBAPEX1CASP6
SCHEMBL11818043 0.81 MAPT (0.54) GRK6MAPTPOLBAPEX1CASP6
SCHEMBL11794690 0.80 SMN1; SMN2 (0.45) GRK6MAPTPOLBAPEX1CASP6
SCHEMBL10696752 0.80 MAPT (0.48) GRK6MAPTPOLBAPEX1CASP6
SCHEMBL11876094 0.79 GRK6 (1.00) GRK6MAPTPOLBMAPK1MEN1

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 3 patents. 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 claimed
US-4904796-A Preparation of a blue anthraquinonoid disperse dye of 1,4-naphthoquinone-[2,]-phthalimides BASF AKTIENGESELLSCHAFT (DE) 1990-02-27 US claimed
US-4904796-A Preparation of a blue anthraquinonoid disperse dye of 1,4-naphthoquinone-[2,]-phthalimides BASF AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed