SCHEMBL2560804

SCHEMBL2560804

Cc1ccc(-c2[nH]c3ccccc3c2C=O)cc1C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.54
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
GSK3B P49841 2/20 0.44
AHR P35869 4/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
KIF11 P52732 2/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 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
SCHEMBL15331669 0.85 MAPT (0.49) PTGS2CYP1A2CYP2C19TNKS2AHR
SCHEMBL2559637 0.83 PTGS2 (0.55) PTGS2CYP1A2CYP2C19TNKS2GSK3B
SCHEMBL14519056 0.80 PIK3CA (0.51) GSK3BAHRMEN1KMT2AMAPT
2-Phenyl-1H-Indole-3-Carbaldehyde SCHEMBL1429713 0.79 ESR1 (0.55) PTGS2GSK3BAHRHPGDALDH1A1
SCHEMBL15331812 0.78 LMNA (0.52) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL5634757 0.78 GSK3B (0.46) TNKS2GSK3BAHRHPGDHSD17B10
SCHEMBL14519076 0.78 GSK3B (0.53) CYP1A2CYP2C19TNKS2GSK3BAHR
SCHEMBL2560357 0.78 KIF11 (0.46) CYP1A2CYP2C19TNKS2GSK3BAHR
SCHEMBL5636398 0.76 CCNB2 (0.54) PTGS2AHRMEN1KMT2AMAPT
SCHEMBL2062029 0.76 PTGS2 (0.54) PTGS2AHRMAPTCTSVCTSL

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