SCHEMBL21769880

SCHEMBL21769880

CCN(C(=O)C1CCSCC1)c1cccc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ HTT P42858 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 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
SCHEMBL21769889 0.85 HTT (0.39) LMNAALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL31158044 0.75 EZH2 (0.40) LMNAHTTKDM4ECNR1CNR2
SCHEMBL21769744 0.72 TP53 (0.36) ALDH1A1TSHRSMN1; SMN2HTTKDM4E
SCHEMBL29031636 0.71 CNR2 (0.49) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL13090981 0.70 ALDH1A1 (0.47) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL9419140 0.65 LMNA (0.44) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL11589439 0.65 ALDH1A1 (0.47) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL11404688 0.64 ALDH1A1 (0.38) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL4300630 0.62 TRPA1 (0.39) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL29873769 0.62 LMNA (0.50) LMNAMEN1KMT2AALDH1A1NPSR1

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
WO-2020038812-A1 NEW PROCESS FOR THE PREPARATION OF AMENAMEVIR RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-02-27 — — WO disclosed
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