SCHEMBL15330754

SCHEMBL15330754

O=Cc1c[nH]c(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.41
NOTUM Q6P988 1/20 0.40
WNT3A P56704 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
PIM1 P11309 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
SCN5A Q14524 3/20 0.37
AURKA O14965 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHEK2 O96017 1/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
KIF11 P52732 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL15330594 0.83 XDH (0.49) PIM1NPY5R
SCHEMBL7476783 0.80 MAPT (0.51) TNKS2AURKANPC1RAB9A
SCHEMBL1336674 0.80 GFER (0.45) WNT3ATNKS2TRPV1POLBKIF11
SCHEMBL2555864 0.79 PIK3CA (0.39) PIM1AURKATPX2NPC1RAB9A
SCHEMBL15332789 0.78 KDM4E (0.38) TNKS2POLBNPC1RAB9A
SCHEMBL2056296 0.77 TRPV1 (0.43) GRK6NOTUMWNT3ATNKS2NISCH
SCHEMBL15330106 0.77 ALDH1A3 (0.47) NOTUM
SCHEMBL15331275 0.77 ALDH1A1 (0.49) POLBCHEK2NPC1RAB9A
SCHEMBL15967361 0.75 GRK6 (0.49) GRK6AURKATPX2CHEK2NPC1
SCHEMBL15331294 0.74 MAP2K1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed