SCHEMBL20196192

SCHEMBL20196192

COc1cc(Cl)cc(C=O)c1OSC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.53
PRKDC P78527 1/20 0.39
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 3/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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 0.81 ERN1 (0.66) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL15358010 0.77 ERN1 (0.50) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL20196189 0.77 ERN1 (0.50) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL27889697 0.74 ERN1 (0.57) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL30973586 0.73 ERN1 (0.55) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL28293621 0.72 ERN1 (0.68) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL15898932 0.72 ERN1 (0.46) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL5883425 0.70 KDM4E (0.66) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL6090664 0.70 ERN1 (0.51) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL3664240 0.69 ERN1 (0.50) ERN1PRKDCALDH1A1KDM4ETSHR

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