SCHEMBL2559413

SCHEMBL2559413

COc1ccc2[nH]c(-c3ccc(F)c(F)c3)c(C=O)c2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
AHR P35869 1/20 0.47
CCNT1 O60563 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
ALDH1A1 P00352 8/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 6/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
GFER P55789 1/20 0.45
ALOX5 P09917 1/20 0.44
HPGD P15428 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL2560558 0.87 MTNR1A (0.51) MTNR1AMTNR1BAHRALDH1A1CYP1A2
SCHEMBL28402701 0.87 MTNR1A (0.55) MTNR1AMTNR1BAHRALDH1A1CYP1A2
SCHEMBL15332137 0.86 MTNR1A (0.49) MTNR1AMTNR1BAHRALDH1A1CYP1A2
SCHEMBL15330955 0.85 MTNR1A (0.51) MTNR1AMTNR1BAHRALDH1A1CYP1A2
SCHEMBL15332362 0.84 ALDH1A1 (0.60) MTNR1AMTNR1BAHRALDH1A1CYP1A2
SCHEMBL2557153 0.83 PTGS2 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL15331284 0.83 ALDH1A1 (0.56) MTNR1AMTNR1BAHRALDH1A1CYP1A2
SCHEMBL15331173 0.83 PARP1 (0.43) CCNT1CCNE1CDK2CDK9ALDH1A1
SCHEMBL15329923 0.82 AHR (0.44) AHRCCNT1CCNE1CDK2CDK9
SCHEMBL1429263 0.82 MTNR1A (0.65) MTNR1AMTNR1BAHRALDH1A1CYP1A2

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