SCHEMBL8408944

SCHEMBL8408944

Cc1cc(Cc2cc(C(N)=O)ccc2C(N)=O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.41
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 5/20 0.38
HPGD P15428 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDH1 O75874 1/20 0.35
PARP1 P09874 1/20 0.34
FYN P06241 2/20 0.34
IGF2BP2 Q9Y6M1 1/20 0.34
THRB P10828 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL8408943 0.88 NPC1 (0.36) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8520769 0.87 NPC1 (0.51) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8409164 0.87 NPC1 (0.35) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8409154 0.87 NPC1 (0.35) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8407971 0.86 NPC1 (0.35) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8406916 0.84 NPC1 (0.50) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL258759 0.82 NPC1 (0.66) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL31267541 0.82 NPC1 (0.66) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL29494818 0.82 NPC1 (0.66) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL14594216 0.80 NPC1 (0.48) 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 2 patents. 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 claimed
US-5935900-A BENZOTRIAZOLE COMPOUND, DIPHENYLSULFONE ELECTRON ACCEPTOR OJL PAPER CO., LTD. (JP) 1999-08-10 US disclosed