SCHEMBL2852955

SCHEMBL2852955

O=C(NCCc1ccc(O)c(O)c1)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
GAA P10253 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SLC7A5 Q01650 1/20 0.43
MAPT P10636 6/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
PTGS1 P23219 1/20 0.40
BLM P54132 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MGLL Q99685 1/20 0.40
CES2 O00748 1/20 0.39

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
SCHEMBL2852839 0.91 SLC7A5 (0.40) KDM4EALDH1A1ERCC1ERCC4SLC7A5
SCHEMBL2860110 0.89 KDM4E (0.47) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL2854509 0.89 KDM4E (0.50) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL2857230 0.89 KDM4E (0.44) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL2860826 0.88 KDM4E (0.43) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2859644 0.88 ALDH1A1 (0.43) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL2856562 0.87 MAPT (0.48) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL2850868 0.87 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL2853061 0.86 KDM4E (0.44) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2863198 0.86 CCR1 (0.50) KDM4EALDH1A1MAPTPOLBSMN1; SMN2

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed