SCHEMBL21100613

SCHEMBL21100613

Fc1ccccc1-c1ccc(CCCc2nc(C3CC3c3ccc(F)c(-c4ccc(CCCc5nc(C6CCOCC6)no5)cc4)c3)no2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
CNR2 P34972 1/20 0.34
KDM1A O60341 1/20 0.33
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 3/20 0.32
MAPK1 P28482 3/20 0.32
PPARG P37231 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 2/20 0.31
TSHR P16473 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31

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
SCHEMBL29411438 0.89 ALOX5AP (0.41) ALOX5APFEN1ALDH1A1L3MBTL1CNR2
SCHEMBL21045107 0.89 ALOX5AP (0.41) ALOX5APFEN1ALDH1A1L3MBTL1CNR2
SCHEMBL29411638 0.83 L3MBTL1 (0.46) ALOX5APFEN1ALDH1A1L3MBTL1ATM
SCHEMBL21045508 0.83 L3MBTL1 (0.46) ALOX5APFEN1ALDH1A1L3MBTL1ATM
SCHEMBL21045338 0.69 MAPK1 (0.44) ALDH1A1L3MBTL1ATMTDP1MAPK1
SCHEMBL29411392 0.69 MAPK1 (0.44) ALDH1A1L3MBTL1ATMTDP1MAPK1
SCHEMBL29411389 0.66 NPC1 (0.57) ALDH1A1L3MBTL1ATMTDP1LMNA
SCHEMBL21045171 0.66 NPC1 (0.57) ALDH1A1L3MBTL1ATMTDP1LMNA
SCHEMBL21045507 0.64 L3MBTL1 (0.47) ALDH1A1L3MBTL1CNR2ATMTDP1
SCHEMBL29411661 0.64 L3MBTL1 (0.47) ALDH1A1L3MBTL1CNR2ATMTDP1

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-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 WO disclosed