SCHEMBL14293204

SCHEMBL14293204

CCOc1ccccc1CCC(=O)Nc1sc2c(c1N)CCC(COC(=O)NCCc1cccnc1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
TP53 P04637 4/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
CNR2 P34972 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
POLB P06746 2/20 0.34
PTK2B Q14289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
AIP O00170 1/20 0.34
SGTA O43765 1/20 0.34
TOMM70 O94826 1/20 0.34
STIP1 P31948 1/20 0.34
PPP5C P53041 1/20 0.34
DNAJC7 Q99615 1/20 0.34

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
SCHEMBL14293180 0.94 MAPT (0.44) MAPTTP53KDM4EALDH1A1RAB9A
SCHEMBL1209615 0.91 ALDH1A1 (0.44) MAPTTP53ALDH1A1RAB9APOLB
SCHEMBL14292975 0.89 MAPT (0.41) MAPTTP53KDM4EALDH1A1RAB9A
SCHEMBL12895488 0.86 ALDH1A1 (0.44) MAPTTP53KDM4EALDH1A1RAB9A
SCHEMBL12895457 0.86 MAPT (0.39) MAPTTP53ALDH1A1ALPLALPI
SCHEMBL14293205 0.85 MAPT (0.38) MAPTTP53ALDH1A1ALPLALPI
SCHEMBL1209347 0.85 ALDH1A1 (0.44) MAPTTP53KDM4EALDH1A1RAB9A
SCHEMBL14293195 0.83 MAPT (0.37) MAPTTP53ALDH1A1ALPLALPI
SCHEMBL14292974 0.83 TP53 (0.45) MAPTTP53KDM4EALDH1A1RAB9A
SCHEMBL14293342 0.83 MAPT (0.39) MAPTTP53KDM4EALDH1A1CNR2

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
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 WO disclosed