SCHEMBL28046316

SCHEMBL28046316

O=[N+]([O-])c1ccc2ccc(I)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 3/20 0.45
ALOX15 P16050 1/20 0.45
NOS1 P29475 1/20 0.45
NFKB1 P19838 1/20 0.43
CASP3 P42574 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL28753879 0.79 MAPT (0.51) MAPTTXNRD1TXNRD3TXNRD2SMN1; SMN2
SCHEMBL3366468 0.78 MAPT (0.50) MAPTTXNRD1TXNRD3TXNRD2SMN1; SMN2
SCHEMBL7051529 0.78 TDP1 (0.50) MAPTTXNRD1TXNRD3TXNRD2SMN1; SMN2
SCHEMBL28046337 0.78 MAPT (0.50) MAPTTXNRD1TXNRD3TXNRD2SMN1; SMN2
SCHEMBL30918562 0.78 MAPT (0.50) MAPTTXNRD1TXNRD3TXNRD2SMN1; SMN2
SCHEMBL3363432 0.74 NPC1 (0.50) MAPTTXNRD1TXNRD3TXNRD2SMN1; SMN2
SCHEMBL3376363 0.74 ALDH1A1 (0.50) MAPTTXNRD1TXNRD3TXNRD2SMN1; SMN2
SCHEMBL6585706 0.74 MAPT (0.46) MAPTTXNRD1TXNRD3TXNRD2SMN1; SMN2
SCHEMBL1012937 0.73 BAZ1A (0.60) MAPTTXNRD1TXNRD3TXNRD2SMN1; SMN2
SCHEMBL32690191 0.73 RAB9A (0.62) MAPTTXNRD1TXNRD3TXNRD2SMN1; SMN2

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-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN disclosed