SCHEMBL2557567

SCHEMBL2557567

Cc1c(B(O)O)ccnc1-c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.43
CYP1A2 P05177 9/20 0.43
CYP3A4 P08684 7/20 0.43
ALDH1A1 P00352 5/20 0.43
CYP2C19 P33261 5/20 0.43
HSD17B10 Q99714 4/20 0.43
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
HIF1A Q16665 1/20 0.43
KMO O15229 1/20 0.42
CYP2D6 P10635 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CDC7 O00311 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
CYP2C9 P11712 3/20 0.38
CLK4 Q9HAZ1 2/20 0.37

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
SCHEMBL2558667 0.85 CYP1A2 (0.43) HSD11B1CYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL2557148 0.82 PDK2 (0.42) HSD11B1CYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL2561175 0.81 HSD11B1 (0.42) HSD11B1CYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL2560065 0.79 HSD11B1 (0.43) HSD11B1CYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL2556813 0.79 HSD11B1 (0.41) HSD11B1ALDH1A1
SCHEMBL2556677 0.79 KMO (0.43) HSD11B1CYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL2559962 0.77 CYP1A2 (0.43) HSD11B1CYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL2559553 0.75 PDK2 (0.48) HSD11B1CYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL21352379 0.75 PTPN11 (0.35) HSD11B1CCNE1CDK2DHODH
SCHEMBL2558443 0.75 HSD11B1 (0.44) HSD11B1CYP1A2CYP3A4ALDH1A1CYP2C19

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