SCHEMBL13699427

SCHEMBL13699427

Cc1cc(CCO)cc(-n2nc3cc(I)c(I)cc3n2)c1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
SHBG P04278 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
SCHEMBL13700402 0.86 NPC1 (0.43) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL74479 0.84 NPC1 (0.50) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL30240966 0.84 NPC1 (0.50) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL13700429 0.82 NPC1 (0.42) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL13700406 0.82 MAPT (0.39) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL13699440 0.79 ALDH1A1 (0.39) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL13699378 0.79 PKM (0.36) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL13699469 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL14577855 0.78 NPC1 (0.36) KDM4EALDH1A1HPGDLMNAMAPT
Diethylamine SCHEMBL7566058 0.78 KDM4E (0.45) KDM4EALDH1A1HPGDLMNAMAPT

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-2103445-A1 Heat resistance improver and reversible thermosensitive recording medium Ricoh Company, Ltd. (JP) 2009-09-23 EP disclosed