SCHEMBL15054540

SCHEMBL15054540

CCOC(=O)c1cc(Br)cc2ncn(CC)c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 3/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
OPRK1 P41145 2/20 0.39
RECQL P46063 1/20 0.37
MAPK10 P53779 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL15054889 0.84 TNF (0.43) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL25262955 0.74 ACHE (0.44) LMNASMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL30258024 0.74 ACHE (0.44) LMNASMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL16427427 0.74 NPC1 (0.38) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL14251705 0.72 HDAC6 (0.39) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL14249020 0.72 NPC1 (0.36) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL14249825 0.71 PRPS1 (0.46) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3374705 0.71 LMNA (0.55) LMNAALDH1A1KMT2ARXFP1GAA
SCHEMBL2431491 0.70 KDM4E (0.43) LMNASMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL25374507 0.70 KDM4E (0.46) SMN1; SMN2ALDH1A1MAPK10

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-2013096151-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 WO disclosed