SCHEMBL29950812

SCHEMBL29950812

O=Cc1cccc2nc(O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
IDO1 P14902 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
TLR2 O60603 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
Formamide SCHEMBL9731196 0.82 ESR2 (0.34) ERN1
SCHEMBL9731192 0.79 EGFR (0.42) ERN1MEN1KMT2AKDM4ERAB9A
SCHEMBL16431491 0.78 ERN1 (0.47) ERN1MEN1KMT2AKDM4ENPC1
SCHEMBL30081467 0.78 ALDH1A1 (0.51) ERN1MEN1KMT2AKDM4ELMNA
SCHEMBL12152493 0.78 P2RX7 (0.41) ERN1MEN1KMT2AKDM4ENPC1
SCHEMBL29950678 0.78 ERN1 (0.47) ERN1MEN1KMT2AKDM4ENPC1
SCHEMBL4615123 0.74 ACHE (0.48) KMT2AKDM4EIDO1RAB9ANPSR1
SCHEMBL11276512 0.74 ALDH1A1 (0.44) ERN1MEN1KMT2AKDM4ENPC1
SCHEMBL9731190 0.73 NQO2 (0.32) ERN1MEN1KMT2AKDM4ENPSR1
SCHEMBL31466752 0.72 NR4A1 (0.52) MEN1KMT2AKDM4ENPC1RAB9A

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 1 patent. 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