SCHEMBL28528303

SCHEMBL28528303

CCCCCCC(O)CN=Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.43
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NAAA Q02083 2/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
Azobenzene SCHEMBL27937522 0.75 ALDH1A1 (0.60) ALDH1A1NAAAMEN1KMT2A
Azobenzene SCHEMBL27918791 0.75 ALDH1A1 (0.60) ALDH1A1NAAAMEN1KMT2A
Azobenzene SCHEMBL27937521 0.75 ALDH1A1 (0.60) ALDH1A1NAAAMEN1KMT2A
Azobenzene SCHEMBL27918792 0.75 ALDH1A1 (0.60) ALDH1A1NAAAMEN1KMT2A
SCHEMBL10431203 0.74 ALDH1A1 (0.42) ALDH1A1NAAAMEN1KMT2A
SCHEMBL10431202 0.74 ALDH1A1 (0.42) ALDH1A1NAAAMEN1KMT2A
SCHEMBL3195894 0.74 ALDH1A1 (0.42) ALDH1A1NAAAMEN1KMT2A
Azobenzene SCHEMBL28807503 0.73 ALDH1A1 (0.63) ALDH1A1MEN1KMT2A
Azobenzene SCHEMBL28807502 0.73 ALDH1A1 (0.63) ALDH1A1MEN1KMT2A
SCHEMBL3432776 0.72 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A

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-112342407-A Back extraction method of lithium extraction liquid 浙江新化化工股份有限公司 2021-02-09 CN disclosed