SCHEMBL17844288

SCHEMBL17844288

COC(=O)c1ccc(OCCc2ccccc2N)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 2/20 0.43
ERAP2 Q6P179 1/20 0.43
TTR P02766 1/20 0.43
USP2 O75604 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 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
SCHEMBL17844388 0.84 THRA (0.42) TTRALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL4841298 0.81 LMNA (0.47) TTRUSP2ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL4841289 0.79 BCL9 (0.47) TTRUSP2ALDH1A1KDM4EMAPT
SCHEMBL29524525 0.78 RAB9A (0.47) TTRALDH1A1MAPTL3MBTL1TDP1
SCHEMBL15295180 0.78 PDE4D (0.53) TTRKDM4EMAPTHPGDHSD17B10
SCHEMBL25314928 0.78 RAB9A (0.47) TTRALDH1A1MAPTL3MBTL1TDP1
SCHEMBL25315062 0.78 MAPT (0.50) TTRALDH1A1KDM4EMAPTHPGD
SCHEMBL16702181 0.78 SCN8A (0.47) ALDH1A1KDM4EATML3MBTL1RAB9A
SCHEMBL13125223 0.76 EGFR (0.50) TTRUSP2ALDH1A1KDM4EMAPT
SCHEMBL12365605 0.76 LMNA (0.49) TTRALDH1A1KDM4EMAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233847-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2017-10-25 EP disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed