SCHEMBL21241202

SCHEMBL21241202

COCC(=O)CCCOc1cc(C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.39
HCRTR2 O43614 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPK10 P53779 2/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
FFAR1 O14842 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
LMNA P02545 3/20 0.35
NFKB1 P19838 1/20 0.35
WEE1 P30291 1/20 0.35
HTT P42858 1/20 0.35
HBB P68871 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL21241067 0.79 KDM4E (0.41) ALDH1A1TSHRMAPTHCRTR2SMN1; SMN2
SCHEMBL8278931 0.79 UHRF1 (0.42) ALDH1A1MAPTHCRTR2SMN1; SMN2NPC1
SCHEMBL12017658 0.77 UHRF1 (0.43) ALDH1A1TSHRMAPTHCRTR2SMN1; SMN2
SCHEMBL17707978 0.74 UHRF1 (0.43) ALDH1A1
SCHEMBL10187322 0.74 CRHR1 (0.44) ALDH1A1TSHRMAPTNPC1L3MBTL1
SCHEMBL12017657 0.74 KMT2A (0.44) ALDH1A1HCRTR2SMN1; SMN2
SCHEMBL18214846 0.73 PLAU (0.42) ALDH1A1SMN1; SMN2MAPK10NPC1L3MBTL1
SCHEMBL21384005 0.73 ALDH1A1 (0.42) ALDH1A1HCRTR2SMN1; SMN2NPC1L3MBTL1
SCHEMBL28909873 0.73 PLAU (0.39) ALDH1A1HCRTR2SMN1; SMN2NPC1RAB9A
SCHEMBL28872269 0.72 UHRF1 (0.45) ALDH1A1SMN1; SMN2MAPK10L3MBTL1

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-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed