SCHEMBL29952034

SCHEMBL29952034

N#Cc1cccc(C=O)c1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOTUM Q6P988 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 2/20 0.34
TRIM24 O15164 2/20 0.34
TRIM33 Q9UPN9 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MCL1 Q07820 1/20 0.34
HTT P42858 1/20 0.34
BCAT1 P54687 1/20 0.33
CYP2A6 P11509 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL5381815 1.00 ERN1 (0.42) ERN1MEN1LMNATHRBBLM
SCHEMBL3085557 0.82 LMNA (0.32) ERN1LMNANOTUMALDH1A1
SCHEMBL31625254 0.82 TRPV4 (0.35) ERN1MEN1LMNATHRBBLM
SCHEMBL32666059 0.80 ERN1 (0.42) ERN1MEN1LMNATHRBBLM
SCHEMBL20798207 0.80 ERN1 (0.42) ERN1MEN1LMNATHRBBLM
SCHEMBL16956616 0.80 NOTUM (0.36) ERN1LMNANOTUMCA1CA2
SCHEMBL16954087 0.80 ALDH1A1 (0.34) LMNANOTUMCA1CA2TSHR
SCHEMBL98563 0.79 LMNA (0.55) ERN1MEN1LMNATHRBBLM
SCHEMBL1533157 0.78 TSHR (0.46) NOTUMCA1CA2TSHRALDH1A1
SCHEMBL6853865 0.78 KMT2A (0.58) ERN1MEN1LMNATHRBBLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024099269-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, USE THEREOF 华东师范大学 2024-05-16 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed