SCHEMBL28040646

SCHEMBL28040646

COOC#Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
MTOR P42345 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
THPO P40225 2/20 0.38
GRM5 P41594 3/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL563510 0.80 APP (0.55) APPNPC1RAB9AMTORKDM4E
Bromide SCHEMBL28159616 0.78 APP (0.52) APPNPC1RAB9AMTORKDM4E
SCHEMBL28572141 0.71 APP (0.44) APPNPC1RAB9AMTORKDM4E
Fluorobenzene SCHEMBL28040305 0.71 APP (0.44) APPNPC1RAB9AMTORKDM4E
SCHEMBL13883950 0.70 APP (0.55) APPNPC1RAB9AMTORKDM4E
SCHEMBL12292119 0.70 APP (0.48) APPNPC1RAB9AMTORKDM4E
SCHEMBL10899545 0.70 APP (0.48) APPNPC1RAB9AMTORKDM4E
SCHEMBL7983223 0.70 APP (0.48) APPNPC1RAB9AMTORKDM4E
SCHEMBL10717008 0.70 APP (0.48) APPNPC1RAB9AMTORKDM4E
SCHEMBL19456931 0.70 APP (0.48) APPNPC1RAB9AMTORKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105418623-B Camptothecine sulphonyl amidine compound and its preparation method and application 兰州大学 2018-06-12 CN disclosed
CN-105418623-A Camptothecin sulfonyl amidine compound and preparation method and application thereof UNIV LANZHOU 2016-03-23 CN disclosed
CN-103936755-B A kind of mibemycin analogue and preparation method thereof and the application in agricultural chemicals INSTITUTE OF PLANT PROTECTION, GANSU ACADEMY OF AGRICULTURAL SCIENCES (CN) 2016-03-23 CN disclosed