SCHEMBL18843992

SCHEMBL18843992

Sc1ccc(/C=C/c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
MAT2A P31153 2/20 0.47
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RAF1 P04049 1/20 0.38
RELA Q04206 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL5490769 0.80 NFE2L2 (0.56) KCNH2MAT2AKMT2AALDH1A1MEN1
SCHEMBL5490767 0.80 NFE2L2 (0.56) KCNH2MAT2AKMT2AALDH1A1MEN1
SCHEMBL17083049 0.79 KCNH2 (0.51) KCNH2MAT2AKMT2AALDH1A1MEN1
SCHEMBL9680696 0.76 IDO1 (0.42) KMT2AALDH1A1MEN1TDP1MAPT
SCHEMBL443909 0.76 IDO1 (0.42) KMT2AALDH1A1MEN1TDP1MAPT
SCHEMBL443908 0.76 IDO1 (0.42) KMT2AALDH1A1MEN1TDP1MAPT
SCHEMBL9680702 0.76 IDO1 (0.42) KMT2AALDH1A1MEN1TDP1MAPT
SCHEMBL18589846 0.76 KCNH2 (0.49) KCNH2MAT2AKMT2AALDH1A1MEN1
SCHEMBL9680244 0.75 IDO1 (0.68) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL9680249 0.75 IDO1 (0.68) ALDH1A1MAPTKDM4ERAB9ANPC1

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
WO-2017078927-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 WO disclosed