SCHEMBL26890902

SCHEMBL26890902

CN/C(CNC(=O)c1sc2c(O)nc(-c3ccccn3)nc2c1C)=N\C=C(/C=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ ADORA2A P29274 2/20 0.32
▸ LMNA P02545 3/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.30
▸ APOBEC3G Q9HC16 1/20 0.30
▸ F12 P00748 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ GPR39 O43194 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL26885170 0.84 GPR39 (0.34) KDM4EGAAADORA2AADORA3CYP1A2
SCHEMBL20665643 0.77 LMNA (0.41) KDM4EGAAADORA2ALMNAPDE10A
SCHEMBL20665129 0.72 KDM4E (0.51) KDM4EGAAADORA2ALMNAPDE10A
SCHEMBL20665657 0.71 HPGDS (0.35) KDM4EGAAPDE10AALDH1A1HPGD
SCHEMBL20665170 0.70 L3MBTL1 (0.41) KDM4EADORA2ALMNAALDH1A1CYP3A4
SCHEMBL26158139 0.66 KDM4E (0.46) KDM4EGAAADORA2APDE10AALDH1A1
SCHEMBL20665232 0.65 KMT2A (0.40) KDM4EGAALMNAHDAC3HDAC1
SCHEMBL20665735 0.64 KDM4E (0.44) KDM4EGAAADORA2APDE10AHDAC3
SCHEMBL24128049 0.64 KDM4E (0.46) KDM4EGAAPDE10AALDH1A1KMT2A
SCHEMBL29720684 0.64 KDM4E (0.46) KDM4EGAAPDE10AALDH1A1KMT2A

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-3642209-B1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC (US) 2023-11-29 — — EP disclosed
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