SCHEMBL8407971

SCHEMBL8407971

CCC(C)c1cc(Cc2cc(C(N)=O)ccc2C(N)=O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 3/20 0.33
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PARP1 P09874 1/20 0.31
HSP90AA1 P07900 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL8409154 0.91 NPC1 (0.35) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8408944 0.86 NPC1 (0.47) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8406938 0.85 NPC1 (0.37) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8408943 0.84 NPC1 (0.36) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8409164 0.82 NPC1 (0.35) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8407973 0.81 TTR (0.38) NPC1RAB9APOLBLMNAMAPT
SCHEMBL8406942 0.80 MAP3K7 (0.39) LMNAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL8061708 0.77 TTR (0.41) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8409283 0.76 PARP1 (0.39) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL20363907 0.74 NPC1 (0.47) NPC1RAB9APOLBLMNAALDH1A1

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
US-5935900-A BENZOTRIAZOLE COMPOUND, DIPHENYLSULFONE ELECTRON ACCEPTOR OJL PAPER CO., LTD. (JP) 1999-08-10 US disclosed