SCHEMBL29922289

SCHEMBL29922289

COc1c2c(c3ccccc3c1OC)N(C)C(=O)C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PRMT1 Q99873 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ CTSV O60911 2/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ MEN1 O00255 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
SCHEMBL24774081 1.00 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2MAPK1PRMT1
SCHEMBL29922149 0.69 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL24774791 0.69 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL8859782 0.65 ALDH1A1 (0.82) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL757747 0.65 KDM4E (0.82) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL3483987 0.65 MGLL (0.42) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL52405 0.63 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL29366129 0.63 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL836635 0.62 PGR (0.36) KDM4EMAPTLMNAPOLBMEN1
Iodide SCHEMBL5967814 0.61 ALDH1A1 (0.94) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT

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
EP-4054560-A1 RIG-I INNATE IMMUNE RECEPTOR ANTAGONISTS AND METHODS OF USING SAME Yale University (US) 2022-09-14 — — EP disclosed
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