SCHEMBL2860110

SCHEMBL2860110

O=C(NCCc1ccc(O)cc1)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 5/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAAR1 Q96RJ0 3/20 0.42
DDR1 Q08345 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
DDR2 Q16832 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
MAP3K20 Q9NYL2 1/20 0.40
MAP3K2 Q9Y2U5 1/20 0.40
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL2854509 0.94 KDM4E (0.50) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2856562 0.92 MAPT (0.48) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2861752 0.91 MAPT (0.43) KDM4EALDH1A1MAPTTP53LMNA
SCHEMBL2854793 0.91 KDM4E (0.46) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2859726 0.91 ALDH1A1 (0.46) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2859861 0.91 TAAR1 (0.51) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2850618 0.90 MAPT (0.44) MAPTSMN1; SMN2TAAR1GAATP53
SCHEMBL2857230 0.89 KDM4E (0.44) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2852955 0.89 KDM4E (0.44) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2854346 0.88 MAPT (0.52) 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