SCHEMBL5163600

SCHEMBL5163600

CC(=O)Oc1ccc(O)c(C#N)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.47
KDM4E B2RXH2 4/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
CFD P00746 2/20 0.39
MAOB P27338 1/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37
GGT1 P19440 1/20 0.37
BLM P54132 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL30453685 0.91 KDM4E (0.46) PIM1KDM4ETSHRALDH1A1GAA
SCHEMBL336624 0.91 KDM4E (0.46) PIM1KDM4ETSHRALDH1A1GAA
Acetic Acid SCHEMBL336195 0.87 KDM4E (0.47) PIM1KDM4ETSHRALDH1A1GAA
SCHEMBL16775524 0.85 ELANE (0.36) PIM1ALDH1A1
SCHEMBL15766154 0.85 PIM1 (0.44) PIM1KDM4ETSHRALDH1A1GAA
SCHEMBL15766444 0.85 PIM1 (0.44) PIM1KDM4ETSHRALDH1A1GAA
SCHEMBL19558268 0.81 ELANE (0.42) ALDH1A1AKR1B1
SCHEMBL15766152 0.79 CFD (0.42) PIM1KDM4ETSHRALDH1A1GAA
SCHEMBL15766886 0.79 MAOB (0.40) PIM1KDM4ETSHRALDH1A1GAA
SCHEMBL24514955 0.77 LMNA (0.44) PIM1KDM4ETSHRALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758850-A1 PREPARATION AND APPLICATIONS OF POLYMER-SUPPORTED HALOGENATED BENZOQUINONES AS OXIDATIVE AGENTS COULADOUROS, Elias, Andrea (GR) 2007-03-07 EP disclosed
WO-2005121077-A1 PREPARATION AND APPLICATIONS OF POLYMER-SUPPORTED HALOGENATED BENZOQUINONES AS OXIDATIVE AGENTS COULADOUROS ELIAS (GR) 2005-12-22 WO disclosed