SCHEMBL28067065

SCHEMBL28067065

Nc1ncc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.56
MAPT P10636 7/20 0.51
ALDH1A1 P00352 5/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
APP P05067 2/20 0.50
CSNK2A1 P68400 1/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
LMNA P02545 2/20 0.48
HSPB1 P04792 2/20 0.46
SCN4A P35499 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44

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
SCHEMBL457744 0.91 XDH (0.60) XDHMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL4235436 0.81 ALDH1A1 (0.47) MAPTALDH1A1RAB9ANPC1APP
SCHEMBL11478740 0.76 HSPB1 (0.54) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL6153787 0.75 KDR (0.54) XDHMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL3208134 0.75 HSPB1 (0.70) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL28051442 0.75 HSPB1 (0.70) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL29872271 0.74 MAPT (0.62) MAPTALDH1A1RAB9ANPC1LMNA
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.73 HSPB1 (0.79) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11689190 0.73 HSPB1 (0.79) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9183872 0.73 HSPB1 (0.79) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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
CN-105714409-A Electrospinning-based preparation method of molecule-assembling polypyrrolone/polyimide composite nano fibers 江西师范大学 2016-06-29 CN disclosed