SCHEMBL5328787

SCHEMBL5328787

CSc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)n(CC(O)CNCc3ccc(C(F)(F)F)cc3)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.44
ADRA2A P08913 1/20 0.37
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
IDH1 O75874 1/20 0.35
PIK3CG P48736 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL5329856 0.89 DNM1 (0.45) DNM1GAAKDM4EMEN1ALDH1A1
SCHEMBL14622465 0.88 DNM1 (0.44) DNM1MAPTTP53GAAPIK3CG
SCHEMBL5328796 0.84 DNM1 (0.45) DNM1ADRA2AMAPTTP53POLB
SCHEMBL5325289 0.83 HSP90AA1 (0.38) MAPTTP53POLBGAAIDH1
SCHEMBL5321578 0.80 PTGS2 (0.37) MAPTLMNASMN1; SMN2
SCHEMBL5329851 0.79 KDM4E (0.43) DNM1GAAKDM4EMEN1ALDH1A1
SCHEMBL5323252 0.79 PTGS2 (0.35) MAPTLMNASMN1; SMN2NPC1
SCHEMBL5322868 0.79 ALDH1A1 (0.39) DNM1MAPTTP53GAAKDM4E
SCHEMBL5327487 0.77 DNM1 (0.34) DNM1MAPTGAALMNASMN1; SMN2
SCHEMBL14622407 0.75 PTGS2 (0.38) MAPTGAAALDH1A1LMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed