SCHEMBL29953935

SCHEMBL29953935

O=Cc1cccc2ncc(O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
IDO1 P14902 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRIM24 O15164 3/20 0.38
TRIM33 Q9UPN9 3/20 0.38
PARP1 P09874 1/20 0.37
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35

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 SCHEMBL9731767 0.83 ERN1 (0.39) ERN1MEN1KMT2AKDM4EPARP1
SCHEMBL9731764 0.81 MAPT (0.47) ERN1MEN1KMT2AKDM4ERAB9A
SCHEMBL23262666 0.79 TRIM24 (0.42) ERN1MEN1KMT2AKDM4ENPC1
SCHEMBL1398173 0.79 CYP1A2 (0.46) ERN1MEN1KMT2AKDM4ENPC1
SCHEMBL7283402 0.77 MET (0.50) ERN1NPC1RAB9AMAP4K4CDK8
SCHEMBL28010138 0.76 ERN1 (0.42) ERN1KMT2AKDM4ENPC1IDO1
SCHEMBL29696057 0.76 ERN1 (0.42) ERN1KMT2AKDM4ENPC1IDO1
SCHEMBL3244529 0.76 MTNR1B (0.49) ERN1KDM4ENPSR1TRIM24TRIM33
SCHEMBL29956482 0.75 CCR1 (0.50) ERN1MEN1KMT2AKDM4ENPC1
SCHEMBL8867238 0.74 ERN1 (0.40) ERN1MEN1KMT2ALMNATHRB

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