SCHEMBL30148765

SCHEMBL30148765

C#CCN(C(=O)OC(C)(C)C)c1cccc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.41
KCNQ5 Q9NR82 3/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PAX8 Q06710 2/20 0.40
JAK2 O60674 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TP53 P04637 1/20 0.39
GPX4 P36969 1/20 0.39
F2 P00734 1/20 0.38
POLQ O75417 3/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL23113822 0.85 MEN1 (0.45) KCNQ4KCNQ5ALDH1A1HTTKMT2A
SCHEMBL30148761 0.83 KCNQ4 (0.39) KCNQ4KCNQ5F2POLQ
SCHEMBL31738064 0.80 F2 (0.39) KCNQ4KCNQ5F2ITGB1ITGA4
SCHEMBL31738374 0.78 KCNQ4 (0.39) KCNQ4KCNQ5PAX8KMT2AMEN1
SCHEMBL22670302 0.77 CYP3A4 (0.42) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL22171271 0.77 F2 (0.43) KCNQ4KCNQ5F2POLQ
SCHEMBL8943566 0.76 ALDH1A1 (0.42) RAB9ANPC1ALDH1A1HTTKMT2A
SCHEMBL10210873 0.76 BRD4 (0.52) PAX8CYP3A4CYP2C9CYP2C19
SCHEMBL31363214 0.76 KCNQ4 (0.38) KCNQ4KCNQ5NPC1KMT2AMEN1
SCHEMBL19512685 0.75 HDAC1 (0.45) RAB9ANPC1ALDH1A1PAX8JAK2

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-115521268-A Method for synthesizing iodo-alkenyl oxazolidinone derivative 贺州学院 2022-12-27 CN disclosed