SCHEMBL8997939

SCHEMBL8997939

Clc1cc[c]c(-c2ccccc2N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4A P27815 1/20 0.40
PRKDC P78527 1/20 0.39
AKR1C3 P42330 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
F10 P00742 1/20 0.38
NCF1 P14598 1/20 0.38
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL8665551 0.83 MEN1 (0.43) L3MBTL1MAPTMEN1NPC1RAB9A
SCHEMBL8666713 0.83 MAPT (0.43) L3MBTL1MAPTMEN1NPC1RAB9A
SCHEMBL8664507 0.83 ALDH1A1 (0.49) L3MBTL1MAPTMEN1NPC1RAB9A
SCHEMBL8663214 0.80 MAPT (0.40) L3MBTL1MAPTMEN1NPC1RAB9A
SCHEMBL8667066 0.78 ALDH1A1 (0.49) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8997898 0.75 MAPT (0.46) L3MBTL1MAPTMEN1NPC1RAB9A
SCHEMBL8665467 0.75 ALDH1A1 (0.55) L3MBTL1MAPTTDP1GAAHSD17B10
SCHEMBL2315135 0.72 MAPT (0.41) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL6682355 0.70 CYP2A6 (0.40) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL8663997 0.70 KMT2A (0.46) L3MBTL1MAPTMEN1NPC1RAB9A

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