SCHEMBL2560558

SCHEMBL2560558

COc1ccc2[nH]c(-c3ccc(F)cc3)c(C=O)c2c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
AHR P35869 1/20 0.48
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL28402701 0.92 MTNR1A (0.55) MTNR1AMTNR1BAHRALDH1A1KDM4E
SCHEMBL15332137 0.91 MTNR1A (0.49) MTNR1AMTNR1BAHRALDH1A1KDM4E
SCHEMBL15331284 0.88 ALDH1A1 (0.56) MTNR1AMTNR1BAHRALDH1A1KDM4E
SCHEMBL2559413 0.87 MTNR1A (0.47) MTNR1AMTNR1BAHRALDH1A1KDM4E
SCHEMBL15330955 0.87 MTNR1A (0.51) MTNR1AMTNR1BAHRALDH1A1KDM4E
SCHEMBL1429263 0.86 MTNR1A (0.65) MTNR1AMTNR1BAHRALDH1A1KDM4E
SCHEMBL15332362 0.86 ALDH1A1 (0.60) MTNR1AMTNR1BMAPK13MAPK12MAPK11
SCHEMBL15329569 0.86 KDM4E (0.49) AHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL15330440 0.85 MTNR1A (0.49) MTNR1AMTNR1BAHRALDH1A1KDM4E
SCHEMBL15331703 0.85 TUBB4A (0.54) MTNR1AMTNR1BAHRALDH1A1KDM4E

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