SCHEMBL28660941

SCHEMBL28660941

CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)c1cn(CCc2ccc(O)c(O)c2)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 2/20 0.38
▸ ALOX15 P16050 4/20 0.37
▸ PTGS2 P35354 1/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ NR1H3 Q13133 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL28656141 0.89 ALDH1A1 (0.39) EGLN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28654041 0.87 HDAC1 (0.39) EGLN1PTGS2HDAC3HDAC4HDAC1
SCHEMBL28651103 0.87 HDAC3 (0.47) EGLN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28654314 0.86 GAA (0.44) LMNAMAPTKDM4EALDH1A1POLB
SCHEMBL28663991 0.83 LIPG (0.39) EGLN1HDAC6LMNAMAPTALDH1A1
SCHEMBL28664287 0.82 CACNA1H (0.39) —
SCHEMBL28658947 0.82 KCNH2 (0.37) —
SCHEMBL28676235 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL28670645 0.81 MEN1 (0.37) —
SCHEMBL28658945 0.81 KCNH2 (0.36) —

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-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 — — CN disclosed
Send feedback