SCHEMBL2551101

SCHEMBL2551101

COc1cc(-c2nc(C=O)c[nH]2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
KDR P35968 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TRIM24 O15164 1/20 0.48
HPGD P15428 1/20 0.48
ALDH5A1 P51649 1/20 0.48
ABAT P80404 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
NOX1 Q9Y5S8 2/20 0.47
GAA P10253 3/20 0.46
RECQL P46063 1/20 0.46
GFER P55789 1/20 0.46
POLB P06746 1/20 0.46
FYN P06241 1/20 0.45
PARP1 P09874 1/20 0.45

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
SCHEMBL2557542 0.89 CYP1A1 (0.48) KDRCYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL15330739 0.87 KDM4E (0.49) PDGFRBKITALDH1A1HPGDTDP1
SCHEMBL2560872 0.85 SMPD3 (0.50) NOX1
SCHEMBL2554567 0.81 MAPT (0.47) ALDH1A1HPGDTDP1GAARECQL
SCHEMBL15329643 0.81 ERN1 (0.47) PDGFRBKITALDH1A1HPGDGAA
SCHEMBL28527368 0.80 KDM4E (0.48) PDGFRBKITKDRALDH1A1TDP1
SCHEMBL2558891 0.79 ESR1 (0.45) HSD17B10RIPK1
SCHEMBL2556342 0.78 GSTP1 (0.46) CYP1A2ALDH1A1
SCHEMBL20176908 0.77 KDM4E (0.34) PDGFRBKITCYP1A1CYP1B1ALDH1A1
SCHEMBL7476783 0.77 MAPT (0.51) CYP1A2ALDH1A1HPGDTDP1NOX1

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