SCHEMBL13699452

SCHEMBL13699452

Cc1cc(CCO)cc(-n2nc3ccc(S(C)(=O)=O)cc3n2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 4/20 0.36
RIPK2 O43353 1/20 0.34
RET P07949 1/20 0.34
KDR P35968 1/20 0.34
MAPK14 Q16539 1/20 0.34
PKMYT1 Q99640 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 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
SCHEMBL13699471 0.82 MEN1 (0.49) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL30240966 0.81 NPC1 (0.50) PTGS2ALDH1A1MAPTKDM4EHPGD
SCHEMBL74479 0.81 NPC1 (0.50) PTGS2ALDH1A1MAPTKDM4EHPGD
SCHEMBL13700429 0.81 NPC1 (0.42) PTGS2ALDH1A1MAPTKDM4EHPGD
SCHEMBL13700406 0.81 MAPT (0.39) PTGS2ALDH1A1MAPTKDM4EHPGD
SCHEMBL13699440 0.81 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL13699478 0.80 KMT2A (0.39) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL13699489 0.79 TYR (0.37) PTGS2ALDH1A1MAPTKDM4EHPGD
SCHEMBL13699469 0.78 KDM4E (0.49) PTGS2ALDH1A1MAPTKDM4EHPGD
SCHEMBL13699378 0.78 PKM (0.36) PTGS2ALDH1A1MAPTKDM4EHPGD

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