SCHEMBL2559962

SCHEMBL2559962

OB(O)c1ccnc(C(F)(F)F)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 12/20 0.43
CYP3A4 P08684 10/20 0.43
CYP2C19 P33261 9/20 0.43
HSD17B10 Q99714 6/20 0.43
ALDH1A1 P00352 5/20 0.43
TSHR P16473 3/20 0.43
ALOX15 P16050 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.43
HIF1A Q16665 1/20 0.43
KMO O15229 2/20 0.42
CYP2D6 P10635 6/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD11B1 P28845 2/20 0.40
CYP2C9 P11712 3/20 0.38
CLK4 Q9HAZ1 3/20 0.37
GLA P06280 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2560065 0.85 HSD11B1 (0.43) CYP1A2CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL15330093 0.81 HSD11B1 (0.40) ALDH1A1KDM4EHSD11B1
SCHEMBL2557412 0.80 HSD11B1 (0.37) HSD17B10HSD11B1
SCHEMBL2558667 0.77 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL2557567 0.77 HSD11B1 (0.43) CYP1A2CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL15330051 0.75 GLP1R (0.33) MAPK1
SCHEMBL2563010 0.75 HTT (0.32) HSD17B10
SCHEMBL2557369 0.73 KIF11 (0.42)
SCHEMBL2556677 0.73 KMO (0.43) CYP1A2CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL2557148 0.73 PDK2 (0.42) CYP1A2CYP3A4CYP2C19HSD17B10ALDH1A1

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 7 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
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed