SCHEMBL7004441

SCHEMBL7004441

O=[N+]([O-])c1cccc2[nH]c3c4[nH]c5cccc([N+](=O)[O-])c5c4c4c([nH]c5cccc([N+](=O)[O-])c54)c3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
NOS1 P29475 2/20 0.44
MAPT P10636 4/20 0.42
PARP1 P09874 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GPR35 Q9HC97 1/20 0.42
CDK2 P24941 1/20 0.41
TSHR P16473 3/20 0.40
APEX1 P27695 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL5879138 0.87 CHEK1 (0.50) TDP1NOS1MAPTPARP1NPC1
SCHEMBL6007713 0.87 TDP1 (0.52) TDP1NOS1MAPTPARP1NPC1
SCHEMBL28907048 0.81 MAPT (0.57) TDP1NOS1MAPTPARP1NPC1
SCHEMBL29478497 0.81 MAPT (0.57) TDP1NOS1MAPTPARP1NPC1
SCHEMBL6009063 0.77 TSHR (0.55) TDP1NOS1MAPTPARP1NPC1
SCHEMBL9055483 0.75 GRIN2D (0.53) TDP1NOS1MAPTPARP1CDK2
SCHEMBL3433685 0.75 TDP1 (0.53) TDP1NOS1MAPTPARP1NPC1
SCHEMBL1799350 0.74 TYMS (0.47) TDP1NOS1MAPTPARP1L3MBTL1
SCHEMBL3915197 0.74 L3MBTL1 (0.57) TDP1NOS1MAPTPARP1NPC1
SCHEMBL31326011 0.74 L3MBTL1 (0.57) TDP1NOS1MAPTPARP1NPC1

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-1327632-A1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF Mitsubishi Rayon Co., Ltd. (JP) 2003-07-16 EP disclosed