SCHEMBL8021934

SCHEMBL8021934

Clc1ccc(C2=NOCCS2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.42
CYP1B1 Q16678 1/20 0.37
AR P10275 1/20 0.37
CNR2 P34972 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
NOTUM Q6P988 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCHE P06276 1/20 0.34
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL8482382 0.81 NOTUM (0.36) MAPTKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL10752085 0.77 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL1577055 0.73 L3MBTL1 (0.32) MAPTALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL10749142 0.72 NOTUM (0.38) MAPTKDM4EMEN1KMT2ANOTUM
SCHEMBL10750163 0.72 MAPT (0.37) ARMAPTKDM4ENPC1RAB9A
SCHEMBL10748422 0.69 NOTUM (0.42) ARCNR2KDM4ENPC1RAB9A
SCHEMBL10752120 0.67 SMN1; SMN2 (0.64) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL27471608 0.66 AHR (0.56) AHRCYP1B1ARCNR2MAPT
SCHEMBL8920819 0.64 AHR (0.43) AHRCYP1B1MAPTKDM4EALDH1A1
SCHEMBL29769221 0.63 AHR (1.00) AHRCYP1B1MAPTKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823462-B1 Increasing the self-polishing properties of antifouling paints SIGMA COATINGS BV (NL) 2000-02-02 EP claimed
WO-1998005719-A1 INCREASING THE SELF-POLISHING PROPERTIES OF ANTIFOULING PAINTS SIGMA COATINGS B.V. (NL) 1998-02-12 WO disclosed