SCHEMBL13286264

SCHEMBL13286264

COCc1cc(/C(N)=N/O)ccc1-c1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
LMNA P02545 3/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 3/20 0.35
RAB9A P51151 2/20 0.35
BRAF P15056 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
KDM1A O60341 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A4 P31645 1/20 0.32
SYK P43405 1/20 0.31

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
SCHEMBL792205 0.87 RECQL (0.40) RECQLKMT2AGAARAB9ABRAF
SCHEMBL13286249 0.84 CHEK2 (0.39) MAPK1HTR7HTR2B
SCHEMBL13285969 0.78 ROCK2 (0.36) LMNAKMT2AL3MBTL1GAAMAPT
SCHEMBL13286176 0.76 PLK1 (0.39) SLC6A4
SCHEMBL13286175 0.74 HSP90AA1 (0.48) LMNAKMT2AL3MBTL1GAAMAPT
SCHEMBL13285984 0.74 CA12 (0.39) HTR7HTR2BALOX15
SCHEMBL13286258 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL13285986 0.74 KDM4E (0.34) LMNARAB9AMAPK1MAPTHSD17B10
SCHEMBL13286177 0.73 HPGD (0.44) HSD17B10KDM4EALDH1A1
SCHEMBL13286262 0.73 PDK2 (0.40) LMNA

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-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed