SCHEMBL20196189

SCHEMBL20196189

COc1cc(Cl)cc(C=O)c1OS(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.50
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 3/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
PRKDC P78527 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1748175 0.78 ERN1 (0.66) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL20196192 0.77 ERN1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL15358010 0.75 ERN1 (0.50) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL27889697 0.72 ERN1 (0.57) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL30973586 0.71 ERN1 (0.55) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL28293621 0.70 ERN1 (0.68) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL15898932 0.70 ERN1 (0.46) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL6090664 0.68 ERN1 (0.51) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL5883425 0.68 KDM4E (0.66) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL3664240 0.67 ERN1 (0.50) ERN1ALDH1A1KDM4ETSHRTDP1

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-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed