SCHEMBL28635019

SCHEMBL28635019

NC(CS)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
PGGT1B P53609 1/20 0.53
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.51
CYP1A2 P05177 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL15465921 1.00 MAPT (0.62) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL4609213 0.86 MEN1 (0.55) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL30427471 0.86 MEN1 (0.55) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL25266534 0.86 MEN1 (0.55) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL30932805 0.85 MAPT (0.54) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL30485178 0.84 LTA4H (0.60) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL9393008 0.84 RAB9A (0.55) MAPTMEN1KMT2APOLBL3MBTL1
Hydrochloric Acid SCHEMBL30337968 0.84 MAPT (0.53) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL5145729 0.82 BACE1 (0.54) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL1614525 0.82 BACE1 (0.54) MAPTMEN1KMT2APOLBL3MBTL1

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-107090486-B Articles and methods for detecting target microorganisms 3M创新有限公司 2021-09-03 CN disclosed