SCHEMBL13258689

SCHEMBL13258689

CSc1cc2c(c([N+](=O)[O-])c1)OC1(C=C2)N(Cc2ccc(CN3c4ccccc4C(C)(C)C34C=Cc3cc(SC)cc([N+](=O)[O-])c3O4)cc2)c2ccccc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PLIN1 O60240 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
PLIN5 Q00G26 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ALPG P10696 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 2/20 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
SCHEMBL12147108 0.96 MAPT (0.36) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL12147806 0.85 GAA (0.39) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL12787040 0.84 MAPT (0.40) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL12147824 0.83 GAA (0.38) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL12846333 0.82 MAPT (0.44) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL13258578 0.82 GAA (0.36) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL12761951 0.81 GAA (0.40) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL13258688 0.81 MAPT (0.39) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL12147107 0.81 GAA (0.36) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL12147810 0.81 GAA (0.36) MAPTGAAMEN1KMT2ASMN1; SMN2

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
WO-2010092030-A1 TIME-TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2010-08-19 WO disclosed