SCHEMBL8903554

SCHEMBL8903554

CCN(CC)CC.O=C(O)/C(=N/OC(c1ccccc1)(c1ccccc1)c1ccccc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
GAA P10253 5/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
RAD52 P43351 1/20 0.35
POLB P06746 2/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GFER P55789 1/20 0.33

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
SCHEMBL8903558 1.00 MAPT (0.41) MAPTGAALMNAKMT2AMEN1
SCHEMBL8903563 1.00 MAPT (0.41) MAPTGAALMNAKMT2AMEN1
SCHEMBL7764698 0.92 MAPT (0.45) MAPTGAALMNAKMT2AMEN1
SCHEMBL2450267 0.92 MAPT (0.45) MAPTGAALMNAKMT2AMEN1
SCHEMBL2450269 0.92 MAPT (0.45) MAPTGAALMNAKMT2AMEN1
SCHEMBL9231227 0.91 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL9804837 0.91 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL9231233 0.91 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL2455167 0.87 MAPT (0.40) MAPTGAALMNAKMT2AMEN1
SCHEMBL2455165 0.85 KMT2A (0.53) MAPTGAALMNAKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594133-A SEPARATING DIASTEREOMERS BY CHROMATOGRAPHY, SPLITTING OFF TRITYL GROUPS, FORMING ACID ADDITION SALTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed
US-5556850-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed