SCHEMBL13066697

SCHEMBL13066697

Cc1cc(O)nc(SCc2nn(C)cc2I)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
RCE1 Q9Y256 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL859396 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDRCE1L3MBTL1
SCHEMBL844664 0.83 ALDH1A1 (0.40) KDM4EALDH1A1HPGDRCE1L3MBTL1
Hydrochloric Acid SCHEMBL859247 0.82 ALDH1A1 (0.39) KDM4EALDH1A1HPGDRCE1L3MBTL1
SCHEMBL16998699 0.74 ALDH1A1 (0.43) KDM4EALDH1A1HPGDRCE1L3MBTL1
SCHEMBL17689167 0.73 KDM4E (0.42) KDM4EALDH1A1HPGDRCE1L3MBTL1
SCHEMBL16998617 0.72 KDM4E (0.47) KDM4EALDH1A1HPGDRCE1L3MBTL1
SCHEMBL861950 0.71 KDM4E (0.48) KDM4EALDH1A1HPGDRCE1L3MBTL1
SCHEMBL859368 0.71 KDM4E (0.40) KDM4EALDH1A1HPGDRCE1L3MBTL1
SCHEMBL859302 0.70 KDM4E (0.44) KDM4EALDH1A1HPGDRCE1L3MBTL1
Hydrochloric Acid SCHEMBL859600 0.70 KDM4E (0.40) KDM4EALDH1A1HPGDRCE1L3MBTL1

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-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO disclosed