SCHEMBL2552364

SCHEMBL2552364

Cc1cc(C(C=O)NCc2ccco2)c(C)n1-c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.58
TSHR P16473 4/20 0.58
HTT P42858 2/20 0.58
NPC1 O15118 1/20 0.58
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 6/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 6/20 0.41
RECQL P46063 3/20 0.41
HSD17B10 Q99714 3/20 0.41
USP2 O75604 2/20 0.41
HPGD P15428 3/20 0.40

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
SCHEMBL14740398 0.74 NPC1 (1.00) LMNATSHRHTTNPC1TP53
SCHEMBL18482772 0.66 NOTUM (0.53) TSHRNPC1RAB9AL3MBTL1GAA
SCHEMBL15903980 0.65 KDM4E (0.47) LMNATSHRHTTNPC1RAB9A
SCHEMBL28369258 0.64 L3MBTL1 (0.54) LMNATSHRHTTNPC1TP53
SCHEMBL29428404 0.64 L3MBTL1 (0.54) LMNATSHRHTTNPC1TP53
SCHEMBL21225466 0.62 ALDH1A1 (0.61) LMNAHTTL3MBTL1TDP1GAA
SCHEMBL21165173 0.60 NOTUM (0.47) LMNATSHRHTTNPC1TP53
SCHEMBL6417366 0.60 MEN1 (1.00) LMNATP53L3MBTL1TDP1GAA
SCHEMBL105281 0.59 MAPT (0.51) TP53RAB9AL3MBTL1TDP1GAA
SCHEMBL18483232 0.59 NOTUM (0.59) TSHRNPC1RAB9AL3MBTL1TDP1

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-2011127333-A2 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-10-13 WO disclosed