SCHEMBL9100731

SCHEMBL9100731

Oc1c(I)c(I)cc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
HSP90AA1 P07900 5/20 0.51
HTT P42858 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
TDP1 Q9NUW8 5/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 4/20 0.51
TP53 P04637 4/20 0.51
ALOX15 P16050 4/20 0.51
HIF1A Q16665 3/20 0.51
MEN1 O00255 3/20 0.51
SLC6A2 P23975 3/20 0.51
KMT2A Q03164 3/20 0.51
USP2 O75604 2/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 2/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51

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
SCHEMBL27110266 0.82 KDM4E (0.48) KDM4EHSP90AA1HTTSMN1; SMN2TDP1
SCHEMBL113907 0.77 LMNA (0.58) KDM4EHSP90AA1HTTSMN1; SMN2TDP1
SCHEMBL22911114 0.73 CCR1 (0.61) KDM4EHSP90AA1HTTSMN1; SMN2TDP1
SCHEMBL20180977 0.72 KDM4E (0.57) KDM4EHSP90AA1HTTSMN1; SMN2TDP1
SCHEMBL12892287 0.72 ALDH1A1 (0.53) KDM4EHSP90AA1HTTSMN1; SMN2TDP1
SCHEMBL19001628 0.71 KDM4E (0.48) KDM4EHSP90AA1HTTSMN1; SMN2TDP1
SCHEMBL28056196 0.70 CCR1 (0.59) KDM4EHSP90AA1HTTSMN1; SMN2TDP1
Sulfuric Acid SCHEMBL27736209 0.70 KDM4E (0.60) KDM4EHSP90AA1HTTSMN1; SMN2TDP1
SCHEMBL21243968 0.69 KDM4E (0.46) KDM4EHSP90AA1HTTSMN1; SMN2TDP1
SCHEMBL20480582 0.69 MMP2 (0.59) KDM4EHSP90AA1HTTSMN1; SMN2TDP1

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
US-5489501-A MIXTURES OF TWO COORDINATION COMPOUNDS WHICH REACT TO FORM NEW COORDINATION COMPOUND WHILE CAUSING VISIBLE COLOR CHANGES RICOH COMPANY, LTD. (JP) 1996-02-06 US disclosed