SCHEMBL24968965

SCHEMBL24968965

CCCCCCNCCCNc1c(NC)c(=O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
S1PR2 O95136 6/20 0.43
S1PR1 P21453 6/20 0.43
S1PR3 Q99500 6/20 0.43
S1PR4 O95977 5/20 0.43
S1PR5 Q9H228 1/20 0.43
RELA Q04206 4/20 0.40
EPHX1 P07099 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
GPR84 Q9NQS5 5/20 0.37

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
SCHEMBL24968961 0.98 ALDH1A1 (0.46) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL21842764 0.93 EPHX1 (0.43) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL21230838 0.91 GPR84 (0.40) ALDH1A1TSHREPHX1GPR84
SCHEMBL18665161 0.85 ALDH1A1 (0.41) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL24485658 0.83 GRIN2D (0.41)
SCHEMBL24263718 0.79 GRIN2D (0.51) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL24806624 0.79 EPHX1 (0.38) EPHX1GPR84
SCHEMBL24807518 0.79 ALDH1A1 (0.42) ALDH1A1TSHREPHX1GPR84
SCHEMBL24968964 0.79 ALDH1A1 (0.41) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL23419710 0.78 EPHX1 (0.48) ALDH1A1TSHRS1PR2S1PR1S1PR3

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-2023006062-A1 NUCLEIC ACID VACCINES FOR MUTANT CORONAVIRUS Suzhou Abogen Biosciences Co., Ltd. (CN) 2023-02-02 WO disclosed