SCHEMBL9263168

SCHEMBL9263168

CCCCCC1CCC(c2nc3ccc(F)cc3s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
GFER P55789 3/20 0.40
AXL P30530 1/20 0.40
UBE2M P61081 3/20 0.39
DCUN1D1 Q96GG9 3/20 0.39
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9263161 1.00 NPC1 (0.42) NPC1RAB9AMAPTGAAGFER
SCHEMBL9272688 0.88 GFER (0.40) NPC1RAB9AMAPTGAAGFER
SCHEMBL9272683 0.88 GFER (0.40) NPC1RAB9AMAPTGAAGFER
SCHEMBL9272677 0.88 GFER (0.40) NPC1RAB9AMAPTGAAGFER
SCHEMBL8554123 0.84 MAPT (0.41) MAPTGAAMEN1KMT2A
SCHEMBL8554126 0.84 MAPT (0.41) MAPTGAAMEN1KMT2A
SCHEMBL9270753 0.82 APP (0.49) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL9270748 0.82 APP (0.49) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL9269933 0.81 PDE4B (0.42) NPC1RAB9AMAPTGFERAXL
SCHEMBL9269941 0.81 PDE4B (0.42) NPC1RAB9AMAPTGFERAXL

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
WO-1995011890-A1 6-FLUOROBENZOTHIAZOLES AND THEIR USE IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-05-04 WO disclosed