SCHEMBL30744995

SCHEMBL30744995

COC(=O)c1cc(/C(N)=N/O)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.59
▸ KDM4E B2RXH2 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ CFTR P13569 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39

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
SCHEMBL29278618 1.00 NOTUM (0.59) NOTUMKDM4EPOLBCFTRGAA
SCHEMBL20963785 1.00 NOTUM (0.59) NOTUMKDM4EPOLBCFTRGAA
SCHEMBL475762 0.85 NOTUM (0.77) NOTUMKDM4EPOLBCFTRGAA
SCHEMBL30614560 0.83 KDM4E (0.46) NOTUMKDM4EPOLBGAACA12
SCHEMBL1999038 0.82 NOTUM (0.77) NOTUMKDM4EPOLBCFTRGAA
SCHEMBL25301773 0.81 KDM4E (0.47) KDM4EPOLBGAACA12CA1
SCHEMBL30497213 0.81 KDM4E (0.47) KDM4EPOLBGAACA12CA1
SCHEMBL20944376 0.81 CES2 (0.46) KDM4EPOLBGAACES2LMNA
SCHEMBL20944373 0.81 CES2 (0.46) KDM4EPOLBGAACES2LMNA
SCHEMBL627579 0.80 CES2 (0.50) POLBGAACES2LMNATDP1

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
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 — — CN disclosed
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