SCHEMBL5596495

SCHEMBL5596495

Fc1ccccc1CCNc1n[c]c(-c2nc3ccccc3s2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ILK Q13418 3/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PRKCQ Q04759 1/20 0.36
CASP6 P55212 1/20 0.36
HDAC1 Q13547 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5596674 0.85 NPC1 (0.44) LTA4HEPHX2ALDH1A1KMT2AMAPT
SCHEMBL5596256 0.84 NPC1 (0.54) ALDH1A1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL5596592 0.83 RAB9A (0.36) ALDH1A1TDP1MAPTSMN1; SMN2L3MBTL1
SCHEMBL5597099 0.82 PTGS1 (0.46) LTA4HEPHX2ALDH1A1MAPTNPC1
SCHEMBL5596942 0.81 ILK (0.51) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5596500 0.81 ILK (0.58) MEN1KMT2AILKPOLBHDAC1
SCHEMBL5596418 0.81 NPC1 (0.44) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL5596937 0.81 ILK (0.53) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5596939 0.81 NPC1 (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5596411 0.81 RAB9A (0.45) LTA4HEPHX2ALDH1A1TDP1MAPT

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
EP-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed