SCHEMBL22451374

SCHEMBL22451374

CCCCc1cc(C)cc(-n2nc3ccc(SCCCCCCOC)cc3n2)c1O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 2/20 0.33
PLK1 P53350 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 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
SCHEMBL22451258 0.93 NPC1 (0.39) NPC1RAB9APOLBPLK1KDM4E
SCHEMBL21261974 0.93 NPC1 (0.39) NPC1RAB9APOLBPLK1KDM4E
SCHEMBL21262068 0.93 NPC1 (0.39) NPC1RAB9APOLBPLK1KDM4E
SCHEMBL19199350 0.93 NPC1 (0.39) NPC1RAB9APOLBPLK1KDM4E
SCHEMBL22549199 0.90 NPC1 (0.37) NPC1RAB9APOLBPLK1KDM4E
SCHEMBL24345953 0.89 NPC1 (0.35) NPC1RAB9APOLBPLK1KDM4E
SCHEMBL22451251 0.89 NPC1 (0.33) NPC1RAB9APOLBPLK1KDM4E
SCHEMBL22451177 0.86 TSHR (0.34) NPC1RAB9APOLBPLK1
SCHEMBL22451353 0.86 TSHR (0.37) NPC1RAB9APOLBPLK1
SCHEMBL22451189 0.85 APP (0.34) NPC1RAB9APOLBPLK1

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-3712138-A1 BENZOTRIAZOLE COMPOUND Miyoshi Oil & Fat Co., Ltd. (JP) 2020-09-23 EP disclosed