SCHEMBL2559637

SCHEMBL2559637

Cc1ccc(-c2[nH]c3ccccc3c2C=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.55
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GSK3B P49841 2/20 0.46
AHR P35869 1/20 0.46
ADK P55263 1/20 0.46
PDE9A O76083 1/20 0.44
PDE1C Q14123 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
KIF11 P52732 1/20 0.43

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
2-Phenyl-1H-Indole-3-Carbaldehyde SCHEMBL1429713 0.86 ESR1 (0.55) PTGS2HPGDMAPTGSK3BAHR
SCHEMBL15331998 0.85 ALDH1A1 (0.50) PTGS2CTSVCTSLHPGDRAB9A
SCHEMBL2062029 0.83 PTGS2 (0.54) PTGS2CTSVCTSLMAPTAHR
SCHEMBL5636398 0.83 CCNB2 (0.54) PTGS2MAPTAHR
SCHEMBL15331045 0.83 CTSV (0.54) PTGS2CTSVCTSLHPGDRAB9A
SCHEMBL2560804 0.83 PTGS2 (0.54) PTGS2CTSVCTSLHPGDRAB9A
SCHEMBL15331960 0.83 CCNB2 (0.50) PTGS2MAPTGSK3BAHRKIF11
SCHEMBL15332438 0.83 PTGS2 (0.58) PTGS2HPGDRAB9AMAPTAHR
SCHEMBL14519076 0.82 GSK3B (0.53) HPGDMAPTGSK3BAHRCYP1A2
SCHEMBL15330541 0.80 MEN1 (0.55) PTGS2HPGDRAB9AAHRCYP1A2

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