SCHEMBL7930076

SCHEMBL7930076

BC(C)C(=O)c1ccc(NC(=O)c2c(F)cccc2F)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 3/20 0.46
TSHR P16473 2/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TP53 P04637 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BRD4 O60885 1/20 0.45
HCAR3 P49019 1/20 0.44
IL2 P60568 1/20 0.43
GCK P35557 1/20 0.42
DEGS1 O15121 2/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL13321611 0.88 MEN1 (0.50) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL13640665 0.83 MEN1 (0.56) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL7929734 0.81 MEN1 (0.54) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL7924572 0.80 MEN1 (0.52) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL13838445 0.76 KMT2A (0.51) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL15793321 0.76 MEN1 (0.48) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL13728275 0.76 MEN1 (0.48) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL15793319 0.76 MEN1 (0.48) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL7922969 0.76 MEN1 (0.48) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL2728441 0.74 NPC1 (0.64) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1

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-2010039237-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-04-08 WO disclosed