SCHEMBL8997898

SCHEMBL8997898

Clc1[c]cccc1-c1ccccc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CNR2 P34972 4/20 0.42
AKR1C3 P42330 1/20 0.41
LMNA P02545 2/20 0.40
NSD2 O96028 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
RAD51 Q06609 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL3541167 0.85 MAPT (0.45) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL8663997 0.82 KMT2A (0.46) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL8667308 0.82 MAPT (0.46) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL8663809 0.77 KMT2A (0.43) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL8997879 0.77 MAPT (0.43) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL8997919 0.77 LMNA (0.47) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL8997939 0.75 L3MBTL1 (0.43) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL4979249 0.73 AKR1C3 (0.67) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL3393801 0.72 HSD17B10 (0.46) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL3543534 0.72 ALDH1A1 (0.47) MAPTL3MBTL1MEN1NPC1RAB9A

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-5574030-A INHIBITING URINARY CONTRACTION, HETEROCYCLIC DIAMINES NIPPON CHEMIPHAR CO., LTD. (JP) 1996-11-12 US disclosed