SCHEMBL20196012

SCHEMBL20196012

CCOC(=O)c1ccc(CN2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.51
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
KIT P10721 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR1H2 P55055 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL28024000 0.91 KDM4E (0.50) DDR1ALDH1A1KDM4EKITATM
SCHEMBL374710 0.89 NR1H2 (0.57) DDR1ALDH1A1KDM4EKITNR1H2
SCHEMBL16380701 0.88 DDR1 (0.52) DDR1ALDH1A1KDM4ENPSR1KIT
SCHEMBL3568167 0.87 ALDH1A1 (0.47) DDR1ALDH1A1KDM4ENPSR1KIT
SCHEMBL3565052 0.87 ALDH1A1 (0.47) DDR1ALDH1A1KDM4ENPSR1KIT
SCHEMBL20196179 0.85 ALDH1A1 (0.44) DDR1ALDH1A1KDM4EKCNH2HRH3
SCHEMBL16528525 0.84 ALDH1A1 (0.47) DDR1ALDH1A1KDM4EKITATM
SCHEMBL20196015 0.84 DDR1 (0.46) DDR1ALDH1A1KCNH2HRH3NPC1
SCHEMBL3020407 0.82 CYP2D6 (0.52) DDR1ALDH1A1KDM4ENPSR1KIT
SCHEMBL16380700 0.81 DDR1 (0.50) DDR1ALDH1A1KDM4ENPSR1KIT

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