SCHEMBL22845774

SCHEMBL22845774

Ic1ccnc2c(I)ccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 3/20 0.41
ALOX15 P16050 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HIF1A Q16665 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SLC6A2 P23975 2/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL998838 0.87 KDM4E (0.37) HSP90AA1KDM4ELMNATP53ALOX15
SCHEMBL21952695 0.84 CCR1 (0.50) HSP90AA1KDM4ELMNATP53ALOX15
SCHEMBL30395826 0.79 CCR1 (0.50) HSP90AA1KDM4ELMNATP53ALOX15
SCHEMBL23060442 0.79 CCR1 (0.50) HSP90AA1KDM4ELMNATP53ALOX15
SCHEMBL24399703 0.79 LIMK1 (0.40) HSP90AA1KDM4ELMNATP53ALOX15
SCHEMBL9486107 0.77 KDM4E (0.50) HSP90AA1KDM4ELMNATP53ALOX15
SCHEMBL1901071 0.77 KDM4E (0.46) HSP90AA1KDM4ELMNATP53ALOX15
SCHEMBL18544788 0.73 CCR1 (0.39) HSP90AA1KDM4ELMNATP53ALOX15
SCHEMBL23618573 0.73 ADORA2A (0.42) HSP90AA1KDM4ELMNATP53ALOX15
SCHEMBL24616830 0.73 ALDH1A1 (0.35) KDM4ELMNAALDH1A1ADORA3CYP3A4

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
WO-2020263703-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS STRATOS GENOMICS, INC. (US) 2020-12-30 WO disclosed