SCHEMBL8665352

SCHEMBL8665352

O=C(NN=c1c(=O)c2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.53
MEN1 O00255 9/20 0.53
MAPT P10636 5/20 0.53
KDM4E B2RXH2 1/20 0.53
CCR6 P51684 1/20 0.53
CXCR1 P25024 2/20 0.51
CXCR2 P25025 2/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 3/20 0.47
MAPK1 P28482 2/20 0.47
DDX3X O00571 1/20 0.47
HTT P42858 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 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
SCHEMBL8667290 0.88 KMT2A (0.56) KMT2AMEN1MAPTKDM4ECCR6
SCHEMBL8664451 0.87 MEN1 (0.62) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL8667830 0.82 SENP6 (0.61) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL9004617 0.81 TRPV1 (0.48) KMT2AMEN1MAPTKDM4ECYP1A2
SCHEMBL9004669 0.81 TRPV1 (0.48) KMT2AMEN1MAPTKDM4ECYP1A2
SCHEMBL8664300 0.80 SMN1; SMN2 (0.50) KMT2AMEN1MAPTPOLBHTT
SCHEMBL9004630 0.77 SENP6 (0.55) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL9004632 0.77 SENP6 (0.55) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL9004644 0.75 KMT2A (0.50) KMT2AMEN1MAPTKDM4ELMNA
Water SCHEMBL9038240 0.74 KMT2A (0.49) KMT2AMEN1MAPTKDM4ELMNA

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
EP-0646574-B1 Ketonic indane derivatives, their preparation and therapeutic application thereof INNOTHERA LAB SA (FR) 1998-12-09 EP disclosed
EP-0646574-A1 Ketonic indane derivatives, their preparation and therapeutic application thereof LABORATOIRE INNOTHERA Société Anonyme (FR) 1995-04-05 EP disclosed