SCHEMBL31006544

SCHEMBL31006544

COc1ccccc1-c1ccc2c(=O)n(Cc3ccccc3F)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ROCK2 O75116 2/20 0.42

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
SCHEMBL29283799 1.00 LMNA (0.46) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL29283849 0.88 THRB (0.45) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL31006543 0.85 ROCK2 (0.49) LMNAMAPTTDP1ALDH1A1THRB
SCHEMBL29283844 0.85 ROCK2 (0.49) LMNAMAPTTDP1ALDH1A1THRB
SCHEMBL29283855 0.84 ICMT (0.51) LMNAROCK2P2RX3ROCK1P2RX7
SCHEMBL31006509 0.84 ICMT (0.51) LMNAROCK2P2RX3ROCK1P2RX7
SCHEMBL29283803 0.84 THRB (0.42) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL31006562 0.84 THRB (0.42) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL29283809 0.83 THRB (0.45) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL31006528 0.83 ROCK2 (0.55) LMNAMAPTALDH1A1THRBPTGER3

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-118184635-A Quinolinone compound, pharmaceutical composition and application thereof 安徽医科大学 2024-06-14 — — CN disclosed
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