SCHEMBL2556715

SCHEMBL2556715

Nc1cc(C(=O)O)c(-c2csc(C=O)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.43
GABRD O14764 5/20 0.43
GABRA1 P14867 5/20 0.43
GABRB1 P18505 5/20 0.43
GABRG2 P18507 5/20 0.43
GABRB3 P28472 5/20 0.43
GABRA5 P31644 5/20 0.43
GABRA3 P34903 5/20 0.43
GABRA2 P47869 5/20 0.43
GABRB2 P47870 5/20 0.43
GABRA4 P48169 5/20 0.43
GABRE P78334 5/20 0.43
GABRA6 Q16445 5/20 0.43
GABRG1 Q8N1C3 5/20 0.43
GABRG3 Q99928 5/20 0.43
GABRQ Q9UN88 5/20 0.43
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
ALOX5AP P20292 1/20 0.33

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
SCHEMBL15331977 0.84 ERN1 (0.33) EIF4ECCNCCDK8ERN1DDT
SCHEMBL2560350 0.83 EIF4E (0.35) EIF4ECCNCCDK8
SCHEMBL2554550 0.78 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2553423 0.77 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15331171 0.76 PIK3CB (0.41) KDM4EALDH1A1GAACHEK1
SCHEMBL2560805 0.76 KDM4C (0.41) KDM4EALDH1A1KMT2AMEN1EIF4E
SCHEMBL2552881 0.74 TRIM24 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2559181 0.73 EIF4E (0.40) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL2559758 0.72 KDM4E (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15333039 0.72 NPC1 (0.50) KDM4EALDH1A1GAAEIF4EERN1

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