SCHEMBL22322367

SCHEMBL22322367

Cc1cc(C=O)ccc1OC(=O)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
ALDH1A3 P47895 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 1/20 0.38
HTR1A P08908 2/20 0.37
HTR3A P46098 2/20 0.37
AOX1 Q06278 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL25258769 0.81 SMN1; SMN2 (0.52) ALDH1A1KDM4EKMT2AHTR3AHRH4
SCHEMBL4645058 0.78 ALDH1A1 (0.46) ALDH1A1ALDH1A3KDM4EAOX1TSHR
SCHEMBL30531446 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL22322095 0.77 HRH4 (0.35) KMT2AHRH4TSHR
SCHEMBL2390994 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AAOX1TSHR
SCHEMBL23064621 0.73 SMN1; SMN2 (0.50) ALDH1A1KMT2ATSHRGAANPSR1
SCHEMBL16553207 0.72 NFE2L2 (0.64) ALDH1A1KDM4EKMT2ATSHRGAA
SCHEMBL16553208 0.72 NFE2L2 (0.64) ALDH1A1KDM4EKMT2ATSHRGAA
SCHEMBL4645229 0.71 ALDH1A1 (0.45) ALDH1A1ALDH1A3KDM4EKMT2AAOX1
SCHEMBL25313919 0.71 GABRP (0.40) HRH4TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3921319-A1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BeiGene, Ltd. (KY) 2021-12-15 EP disclosed
WO-2020160710-A1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEIGENE, LTD. (KY) 2020-08-13 WO disclosed