SCHEMBL28329699

SCHEMBL28329699

N=C(N)NC(OCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.50
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FOLH1 Q04609 1/20 0.41
PARP10 Q53GL7 1/20 0.40
SRR Q9GZT4 1/20 0.39
PLAU P00749 2/20 0.39
KLK8 O60259 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39

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
SCHEMBL11635275 0.79 CNR2 (0.54) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL29669991 0.79 CTRB1 (0.52) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL2269230 0.78 SLC1A1 (0.53) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL11505839 0.78 SLC1A3 (0.41) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL5370656 0.76 SLC1A1 (0.50) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL27905810 0.76 SLC1A3 (0.41) SLC1A3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5370668 0.76 SLC1A1 (0.50) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
Sulfuric Acid SCHEMBL11563677 0.75 F2 (0.41) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL20921906 0.74 MAPT (0.51) ALDH1A1
SCHEMBL28119700 0.74 CTRB1 (0.47) KMT2APLAUKLK8F2F10

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-110337295-A Compounds and methods of their use 普拉克西斯精密药物股份有限公司 2019-10-15 CN disclosed