SCHEMBL2551877

SCHEMBL2551877

COc1cccc(OC)c1-c1nn(C)c(Cl)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
TLR2 O60603 1/20 0.36
ERN1 O75460 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 3/20 0.35
BRD4 O60885 1/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ACLY P53396 1/20 0.34
AMY1A P0DUB6 1/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL15332242 0.84 BRD4 (0.45) CYP1A2CYP2C19CYP2C9ERN1SMN1; SMN2
SCHEMBL2559813 0.84 SRC (0.38) CYP1A2CYP2C19CYP2C9ERN1ALDH1A1
SCHEMBL15329593 0.83 ERN1 (0.38) CCR4CYP1A2CYP2C19CYP2C9TLR2
SCHEMBL15331143 0.82 RIPK2 (0.37) CCR4TLR2ERN1TLR1TLR6
SCHEMBL15329706 0.82 ALDH1A1 (0.46) CCR4CYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL15333258 0.81 LMNA (0.45) SMN1; SMN2RECQLALDH1A1NPSR1MAPT
SCHEMBL2562457 0.79 CYP1A2 (0.39) CYP1A2CYP2C19CYP2C9ERN1SMN1; SMN2
SCHEMBL15330426 0.78 TDP2 (0.43) ERN1SMN1; SMN2ALDH1A1NPSR1ACLY
SCHEMBL15331791 0.77 CYP1A2 (0.46) CYP1A2CYP2C19CYP2C9ERN1SMN1; SMN2
SCHEMBL29320357 0.77 BTK (0.41) CYP1A2CYP2C19CYP2C9SMN1; SMN2

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