SCHEMBL23217508

SCHEMBL23217508

O=C(O)COc1c(CBr)cc(Br)c2occc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
KCNA2 P16389 2/20 0.37
KCNA5 P22460 1/20 0.37
KCNA1 Q09470 1/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 2/20 0.36
KCNA3 P22001 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
KMT2A Q03164 1/20 0.35
CD69 Q07108 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL23217812 0.90 PTGDR2 (0.45) PTPN1KCNA2KCNA5KCNA1PKM
SCHEMBL23241694 0.83 KDM4E (0.39) KCNA2KCNA5KCNA1KDM4EKCNA3
SCHEMBL30010993 0.83 KDM4E (0.39) KCNA2KCNA5KCNA1KDM4EKCNA3
SCHEMBL23217709 0.81 PTGDR2 (0.46) PTPN1KCNA2KCNA5KCNA1PKM
SCHEMBL30010045 0.81 ALDH1A1 (0.41) KDM4EKCNA3ALDH1A1HSD17B10LMNA
SCHEMBL23217647 0.77 CYP3A4 (0.44) KCNA2KCNA5KCNA1KDM4EKCNA3
SCHEMBL23217665 0.75 HTR2A (0.35) KCNA2KDM4EKCNA3ALDH1A1POLB
SCHEMBL23217258 0.74 KCNA3 (0.38) KCNA2KCNA5KCNA1KCNA3ALDH1A1
SCHEMBL23241702 0.73 KDM4E (0.39) KCNA2KCNA5KCNA1KDM4EKCNA3
SCHEMBL30009732 0.73 KDM4E (0.39) KCNA2KCNA5KCNA1KDM4EKCNA3

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-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed