SCHEMBL24901671

SCHEMBL24901671

COC(=O)c1cc(Br)c(N)c(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.49
PDK2 Q15119 1/20 0.41
ALPL P05186 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 1/20 0.38
APOBEC3A P31941 1/20 0.38
HTT P42858 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL25564365 0.84 NOTUM (0.46) NOTUMALPLMRGPRX4CA12CA1
SCHEMBL5223563 0.83 TTR (0.43) ALPLMRGPRX4CA12CA1CA2
SCHEMBL2911409 0.83 TSHR (0.50) NOTUMCA12CA1CA2CA7
SCHEMBL29422733 0.82 ALPL (0.43) NOTUMPDK2ALPLMRGPRX4CA12
SCHEMBL14914880 0.82 ALPL (0.43) NOTUMPDK2ALPLMRGPRX4CA12
SCHEMBL11425376 0.81 CA12 (0.52) NOTUMPDK2CA12CA1CA2
SCHEMBL670581 0.80 NOTUM (0.55) NOTUMPDK2ALPLMRGPRX4CA12
SCHEMBL2240748 0.79 NOTUM (0.59) NOTUMPDK2ALPLMRGPRX4CA12
SCHEMBL4314290 0.79 NOTUM (0.63) NOTUMPDK2ALPLMRGPRX4CA12
SCHEMBL24901669 0.78 NOTUM (0.45) NOTUMPDK2ALPLMRGPRX4HTT

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
WO-2023001237-A1 GLUCAGON-LIKE PEPTIDE-1 RECEPTOR MODULATORS AND USES THEREOF Hepagene Therapeutics (HK) Limited (CN) 2023-01-26 WO disclosed