SCHEMBL2559982

SCHEMBL2559982

COc1ccc(C=O)cc1CN1C(=O)CNC1=O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.62
ALDH1A1 P00352 12/20 0.53
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
FDPS P14324 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
AOX1 Q06278 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A3 P47895 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL15332886 0.77 RXFP1 (0.52) RXFP1ALDH1A1TSHRMEN1POLB
SCHEMBL2973560 0.76 RXFP1 (1.00) RXFP1ALDH1A1TSHRNPSR1MEN1
SCHEMBL2559496 0.76 RXFP1 (0.60) RXFP1ALDH1A1TSHRMEN1POLB
SCHEMBL26098144 0.74 KMT2A (0.63) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL25640341 0.74 KDM4E (0.61) RXFP1ALDH1A1TSHRFDPSMEN1
SCHEMBL29953939 0.74 RXFP1 (0.52) RXFP1ALDH1A1TSHRNPSR1MEN1
SCHEMBL29953174 0.74 CYP1A2 (0.57) RXFP1ALDH1A1TSHRMEN1POLB
SCHEMBL378362 0.73 GSK3A (0.65) ALDH1A1TSHRMEN1POLBKMT2A
SCHEMBL17864792 0.73 KDM4E (0.63) RXFP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL29957052 0.72 ALDH1A1 (0.66) RXFP1ALDH1A1TSHRNPSR1FDPS

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