SCHEMBL2558239

SCHEMBL2558239

Nc1ncc(-c2ccc(C=O)s2)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TBK1 Q9UHD2 14/20 0.46
IKBKE Q14164 13/20 0.46
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
APP P05067 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL2559844 0.85 CYP2E1 (0.46) KDM4EALDH1A1GAANPC1GLA
SCHEMBL2558005 0.84 CYP2E1 (0.44) KDM4EALDH1A1GAANPC1GLA
SCHEMBL2558348 0.82 CYP2E1 (0.46) KDM4EALDH1A1GAANPC1GLA
SCHEMBL15331171 0.78 PIK3CB (0.41) KDM4EALDH1A1GAANPC1GLA
SCHEMBL2554550 0.77 GABRP (0.42) KDM4EALDH1A1GAANPC1GLA
SCHEMBL2561478 0.76 CYP2E1 (0.50) KDM4EALDH1A1GAANPC1GLA
SCHEMBL16533152 0.75 CYP2A6 (0.56) KDM4EGAAPOLBCYP2E1CYP3A4
SCHEMBL2561001 0.74 IKBKE (0.48) KDM4ETBK1IKBKE
SCHEMBL2561768 0.74 PTPN22 (0.56) APP
SCHEMBL15332488 0.73 ALDH1A1 (0.45) KDM4EALDH1A1NPC1POLBRAB9A

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