SCHEMBL2558643

SCHEMBL2558643

Cc1nc(-c2ccccc2C(F)(F)F)ccc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.46
HSD11B1 P28845 3/20 0.44
ACP1 P24666 1/20 0.44
PTPN1 P18031 4/20 0.43
TRPA1 O75762 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CNR2 P34972 1/20 0.40
VCP P55072 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL2558427 0.85 KMO (0.46) KMOHSD11B1ACP1PTPN1CYP1A2
SCHEMBL2560311 0.78 SCN9A (0.43) HSD11B1TRPA1CYP3A4CNR2
SCHEMBL2558443 0.76 HSD11B1 (0.44) KMOHSD11B1ACP1PTPN1TRPA1
SCHEMBL4592066 0.75 HSD11B1 (0.43) KMOHSD11B1ACP1PTPN1TRPA1
SCHEMBL2560293 0.74 CTSA (0.37) HSD11B1CNR2
SCHEMBL2560014 0.74 CYP1A2 (0.48) KMOHSD11B1ACP1TRPA1TRPM8
SCHEMBL2561470 0.74 ACP1 (0.48) KMOHSD11B1ACP1TRPA1TRPM8
SCHEMBL7394302 0.73 HSD11B1 (0.46) HSD11B1ACP1TRPA1TRPM8TRPV1
SCHEMBL15332431 0.73 CYP1A2 (0.50) KMOHSD11B1ACP1CYP1A2CYP3A4
SCHEMBL2552745 0.73 HSD11B1 (0.41) KMOHSD11B1ACP1PTPN1TRPA1

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