SCHEMBL31056880

SCHEMBL31056880

COC(=O)c1cc(Br)c(OC)c(N)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
POLB P06746 2/20 0.51
HSD17B10 Q99714 4/20 0.42
GAA P10253 3/20 0.42
TPMT P51580 1/20 0.41
TSHR P16473 1/20 0.41
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HPGD P15428 4/20 0.40
MAPT P10636 3/20 0.40
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ALDH1A1 P00352 4/20 0.39
ATM Q13315 2/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
CFTR P13569 1/20 0.39
SOS1 Q07889 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
SCHEMBL31056282 0.85 HSD17B10 (0.56) KDM4EPOLBHSD17B10TPMTTSHR
SCHEMBL7405341 0.85 GAA (0.46) KDM4EPOLBHSD17B10GAATSHR
SCHEMBL17201045 0.81 HSD17B10 (0.42) KDM4EPOLBHSD17B10GAATPMT
SCHEMBL17201267 0.81 SOS1 (0.48) KDM4EPOLBHSD17B10GAATPMT
SCHEMBL3709174 0.78 HSD17B10 (0.49) KDM4EPOLBHSD17B10GAATPMT
SCHEMBL29023133 0.77 KDM4E (0.51) KDM4EPOLBHSD17B10GAATSHR
SCHEMBL31056505 0.77 SMN1; SMN2 (0.50) KDM4EPOLBHSD17B10TPMTHTT
SCHEMBL856900 0.77 KDM4E (0.58) KDM4EPOLBHSD17B10GAATSHR
SCHEMBL3298748 0.76 KDM4E (0.50) KDM4EPOLBHSD17B10GAATSHR
SCHEMBL21955060 0.75 GAA (0.50) KDM4EPOLBHSD17B10GAATSHR

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed