SCHEMBL28046347

SCHEMBL28046347

COCCc1cc([N+](=O)[O-])cnc1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
POLB P06746 2/20 0.42
IDO1 P14902 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
APOBEC3A P31941 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 1/20 0.37
LCK P06239 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5105572 0.83 POLB (0.50) HTTPOLBIDO1MAPTALDH1A1
SCHEMBL1817755 0.81 POLB (0.59) HTTPOLBIDO1MAPTALDH1A1
SCHEMBL2794197 0.76 LMNA (0.36) ALDH1A1LMNATDP1
SCHEMBL29253722 0.74 KMT2A (0.51) HTTPOLBMAPTALDH1A1KMT2A
SCHEMBL8564571 0.73 MAPT (0.43) HTTMAPTALDH1A1LMNARAB9A
SCHEMBL8564259 0.73 ALDH1A1 (0.37) HTTPOLBMAPTALDH1A1LMNA
SCHEMBL23534521 0.73 KMT2A (0.46) HTTPOLBIDO1MAPTKMT2A
SCHEMBL3586217 0.73 HTT (0.57) HTTIDO1MAPTALDH1A1KMT2A
SCHEMBL5820280 0.72 MAPT (0.42) MAPTALDH1A1KMT2AAPOBEC3GLMNA
SCHEMBL5484368 0.72 IDO1 (0.46) HTTPOLBIDO1MAPTALDH1A1

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