SCHEMBL2558813

SCHEMBL2558813

COc1cccc(-c2nc(C=O)c[nH]2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.45
AMY1A P0DUB6 1/20 0.38
DHODH Q02127 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM1A O60341 1/20 0.35
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TNKS O95271 1/20 0.34

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
SCHEMBL15332409 0.86 DCUN1D1 (0.48) ERN1ALDH1A1DCUN1D1GAA
SCHEMBL2561480 0.85 FGFR1 (0.45) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL15329585 0.84 GUSB (0.49) ERN1CYP3A4ALDH1A1TLR2TLR1
SCHEMBL2556390 0.82 ERN1 (0.47) ERN1AMY1ACYP1A2CYP3A4CYP2D6
SCHEMBL2554101 0.81 TLR2 (0.39) ERN1HTR1AHTR7HTR2BHTR5A
SCHEMBL2560940 0.81 CCNE2 (0.41) ERN1DHODHALDH1A1DCUN1D1GAA
SCHEMBL2553826 0.81 LRRK2 (0.43) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL2557499 0.79 KMO (0.38) ALDH1A1
SCHEMBL2558953 0.77 PRMT1 (0.40) ERN1ALDH1A1USP2GAA
SCHEMBL15330698 0.76 MGAM (0.35) ERN1DCUN1D1GAALRRK2

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