SCHEMBL8667033

SCHEMBL8667033

O=C(NN=c1c(=O)c2ccccc2c1=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 1/20 0.49
CASP3 P42574 3/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
THRB P10828 1/20 0.47
KCNMA1 Q12791 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9004741 0.79 MAPT (0.53) KMT2AMEN1NPC1CASP3TP53
SCHEMBL8667290 0.79 KMT2A (0.56) KMT2AMEN1NPC1CASP3ALDH1A1
SCHEMBL9004654 0.78 KMT2A (0.51) KMT2AMEN1NPC1CASP3ALDH1A1
SCHEMBL9004618 0.78 KMT2A (0.63) KMT2AMEN1NPC1CASP3ALDH1A1
SCHEMBL9232385 0.78 SENP6 (0.51) KMT2AMEN1NPC1CASP3ALDH1A1
SCHEMBL9004650 0.78 MAPT (0.51) KMT2AMEN1NPC1CASP3TP53
SCHEMBL9004668 0.78 RAB9A (0.57) KMT2AMEN1NPC1CASP3ALDH1A1
SCHEMBL11332310 0.78 KMT2A (0.73) KMT2AMEN1NPC1TP53ALDH1A1
SCHEMBL8664451 0.76 MEN1 (0.62) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL9231193 0.75 SMN1; SMN2 (0.47) KMT2AMEN1CASP3ALDH1A1MAPT

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