SCHEMBL28292748

SCHEMBL28292748

NOC(=O)[C@H](Cc1ccccc1)N(C=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 3/20 0.43
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
PSAT1 Q9Y617 1/20 0.36
CTRB1 P17538 2/20 0.36
MAPT P10636 1/20 0.36
ANPEP P15144 1/20 0.36
CPA3 P15088 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
SCHEMBL7423057 0.83 CYP1A2 (0.47) SRRALPIPKMPTGS1XIAP
SCHEMBL7423062 0.83 CYP1A2 (0.47) SRRALPIPKMPTGS1XIAP
SCHEMBL28292698 0.82 CHRNB2 (0.38) ALDH1A1KMT2A
SCHEMBL28294338 0.81 SMN1; SMN2 (0.35) PKMALDH1A1GAACYP1A2KMT2A
SCHEMBL28283100 0.79 SRR (0.50) SRRALPIPKMPTGS1XIAP
SCHEMBL28614528 0.74 PPARG (0.47) ALDH1A1
SCHEMBL10791747 0.70 SMPD2 (0.40) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL299389 0.70 SLC7A5 (0.66) SRRALPIPKMPTGS1XIAP
SCHEMBL5968413 0.70 SLC7A5 (0.66) SRRALPIPKMPTGS1XIAP
SCHEMBL2336410 0.70 SRR (0.55) SRRALPIPKMPTGS1XIAP

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-108025574-B Thermal recording medium 三光株式会社 2019-04-16 CN disclosed