SCHEMBL20809262

SCHEMBL20809262

O=C(Cl)c1ccc(C2(C(F)(F)F)N=N2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
NOS1 P29475 2/20 0.38
GABRA1 P14867 3/20 0.36
GABRB2 P47870 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GABRB3 P28472 2/20 0.35
GABRG2 P18507 1/20 0.35
NTRK1 P04629 1/20 0.33
DUSP3 P51452 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
PTPN1 P18031 1/20 0.31
GSK3B P49841 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC2A1 P11166 1/20 0.30

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
SCHEMBL2380170 0.83 KIF11 (0.51) KIF11NOS1ALDH1A1
SCHEMBL13073461 0.81 KIF11 (0.50) KIF11NOS1GABRA1GABRB2GABRB3
SCHEMBL2438979 0.81 KIF11 (0.58) KIF11NOS1GABRA1GABRB2ALDH1A1
SCHEMBL26598413 0.80 KIF11 (0.49) KIF11NOS1GABRA1GABRB2GABRB3
SCHEMBL20809287 0.79 KIF11 (0.41) KIF11NOS1GABRA1GABRB2GABRB3
SCHEMBL14655025 0.79 KIF11 (0.51) KIF11NTRK1
SCHEMBL24534621 0.77 KIF11 (0.50) KIF11NOS1GABRA1GABRB2ALDH1A1
SCHEMBL13033756 0.77 KIF11 (0.47) KIF11NOS1GABRA1GABRB2GABRB3
SCHEMBL17865303 0.77 KIF11 (0.47) KIF11NOS1GABRA1GABRB2ALDH1A1
SCHEMBL26598409 0.77 KIF11 (0.47) KIF11NOS1GABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3678713-B1 HYGROSCOPIC, CROSSLINKING COATINGS AND BIOADHESIVES UNIV NANYANG TECH (SG) 2023-11-08 EP disclosed
US-20200282102-A1 HYGROSCOPIC, CROSSLINKING COATINGS AND BIOADHESIVES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-09-10 US disclosed
WO-2019050479-A1 HYGROSCOPIC, CROSSLINKING COATINGS AND BIOADHESIVES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-03-14 WO disclosed