SCHEMBL8997930

SCHEMBL8997930

Clc1cs[c]c1-c1ccccc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
AKR1C3 P42330 1/20 0.42
CNR2 P34972 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MCOLN3 Q8TDD5 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
RAD51 Q06609 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 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
SCHEMBL8664016 0.83 KMT2A (0.43) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL8664832 0.82 HTR2A (0.43) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL8997879 0.82 MAPT (0.43) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL8665476 0.78 ALDH1A1 (0.43) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL4979249 0.73 AKR1C3 (0.67) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL17628666 0.71 NPC1 (0.44) MAPTL3MBTL1MEN1NPC1RAB9A
Ammonia Solution, Strong SCHEMBL6931896 0.71 AKR1C3 (0.65) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL8997898 0.70 MAPT (0.46) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL9424119 0.69 LMNA (0.62) MAPTL3MBTL1MEN1NPC1RAB9A
SCHEMBL15362290 0.69 HTR7 (0.62) 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