SCHEMBL13709484

SCHEMBL13709484

COc1ccc(NC(=O)c2cccc(-c3csc(NC(=O)[C@@H]4Cc5ccccc5[C@@H]4C)n3)c2)cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
MAPT P10636 7/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 4/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 1/20 0.43
PAX8 Q06710 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
NAMPT P43490 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13709454 1.00 MEN1 (0.45) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4432321 0.91 MAPT (0.47) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4432235 0.91 MAPT (0.47) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL13600532 0.91 MAPT (0.47) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4432231 0.91 MAPT (0.47) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL13600524 0.91 MAPT (0.47) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL14444840 0.90 MEN1 (0.43) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL14445496 0.90 MEN1 (0.43) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4438269 0.76 MAPT (0.47) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL14300436 0.70 MAPT (0.45) MEN1KMT2AMAPTRAB9ANPC1

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
US-7592461-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed