SCHEMBL8409154

SCHEMBL8409154

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
POLB P06746 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
PARP1 P09874 1/20 0.32
LMNA P02545 2/20 0.32
DPP4 P27487 1/20 0.32
HSP90AA1 P07900 3/20 0.31
ALDH1A1 P00352 4/20 0.31
HPGD P15428 3/20 0.31
KDM4E B2RXH2 3/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALOX5AP P20292 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8407971 0.91 NPC1 (0.35) NPC1RAB9APOLBPARP1LMNA
SCHEMBL8408944 0.87 NPC1 (0.47) NPC1RAB9APOLBPARP1LMNA
SCHEMBL8408943 0.85 NPC1 (0.36) NPC1RAB9APOLBJAK2JAK1
SCHEMBL8409283 0.85 PARP1 (0.39) NPC1RAB9APOLBPARP1LMNA
SCHEMBL8409164 0.84 NPC1 (0.35) NPC1RAB9APOLBJAK2JAK1
SCHEMBL8409160 0.80 TTR (0.40) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL8409285 0.78 MAP3K7 (0.39) POLBLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL26658010 0.78 NPC1 (0.46) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL8406938 0.76 NPC1 (0.37) NPC1RAB9APOLBPARP1LMNA
SCHEMBL8055374 0.76 TTR (0.44) 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