SCHEMBL15329643

SCHEMBL15329643

COc1ccc(-c2nc(C=O)c[nH]2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
CYP17A1 P05093 1/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL15330739 0.87 KDM4E (0.49) ERN1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2554567 0.84 MAPT (0.47) ERN1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2557542 0.84 CYP1A1 (0.48) ERN1ALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL2555372 0.83 TYMP (0.41) ERN1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL2560329 0.82 ERN1 (0.43) ERN1MAPTGAAPTGS2
SCHEMBL2551101 0.81 PDGFRB (0.48) ALDH1A1PDGFRBNFKB1NFKB2RELA
SCHEMBL20176908 0.80 KDM4E (0.34) ERN1ALDH1A1PDGFRBPDGFRAKDM4E
SCHEMBL2556390 0.80 ERN1 (0.47) ERN1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15332262 0.79 DAPK3 (0.38) NPC1RAB9AMEN1KMT2APTGS2
SCHEMBL2558891 0.79 ESR1 (0.45) ERN1CYP17A1KDM4ELMNA

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 5 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