SCHEMBL2556985

SCHEMBL2556985

OB(O)c1cc(-c2ccccc2C(F)(F)F)nc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.46
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KMO O15229 2/20 0.42
CTSK P43235 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 2/20 0.40
VCP P55072 1/20 0.38
SDHB P21912 1/20 0.37
TSHR P16473 2/20 0.37
HSD11B1 P28845 1/20 0.36
TRPA1 O75762 2/20 0.36
BACE1 P56817 1/20 0.36
SCN9A Q15858 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 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
SCHEMBL2561470 0.84 ACP1 (0.48) ACP1KMOCTSKCYP1A2CYP3A4
SCHEMBL21352409 0.81 NPSR1 (0.50) LMNAPOLBCYP3A4TSHRHSD11B1
SCHEMBL21352371 0.80 LMNA (0.39) LMNAPOLBSDHBHSD11B1
SCHEMBL20776163 0.79 ACP1 (0.43) ACP1KMOCTSKCYP1A2CYP3A4
SCHEMBL11783349 0.77 KMO (0.48) ACP1LMNAPOLBKMOCTSK
SCHEMBL11794472 0.75 KMO (0.53) ACP1LMNAPOLBKMOCYP1A2
SCHEMBL28454234 0.75 MGLL (0.43) LMNAPOLBCYP3A4TSHRCYP2D6
SCHEMBL2558883 0.75 LMNA (0.33) LMNAPOLB
SCHEMBL29891775 0.74 AR (0.45) HSD11B1TRPA1BACE1SCN9ATRPM8
SCHEMBL11783359 0.73 ACP1 (0.43) ACP1LMNAPOLBKMOCTSK

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