SCHEMBL2431130

SCHEMBL2431130

O=C(NC(F)(F)F)c1cccc2ncccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.62
ACLY P53396 1/20 0.50
PABPC1 P11940 4/20 0.49
EIF4H Q15056 4/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NR4A1 P22736 1/20 0.45
ESR2 Q92731 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5271311 0.89 NSD2 (0.52) NSD2HDAC6PREP
SCHEMBL25753495 0.85 NSD2 (0.58) NSD2ACLYPABPC1EIF4HMEN1
SCHEMBL24059139 0.83 NSD2 (0.67) NSD2ACLYPABPC1EIF4HMEN1
SCHEMBL21223937 0.80 NSD2 (0.51) NSD2ACLYPABPC1EIF4HMEN1
SCHEMBL16572948 0.80 NSD2 (0.67) NSD2ACLYPABPC1EIF4HMEN1
SCHEMBL28108390 0.78 PARP1 (0.58) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL11398283 0.78 DNMT1 (0.50) NSD2PABPC1EIF4HHDAC6
SCHEMBL3634145 0.78 SMN1; SMN2 (0.41) KMT2ACYP3A4SMN1; SMN2MAPTHDAC6
Trifluoroacetic Acid SCHEMBL5431125 0.77 NSD2 (0.52) NSD2ACLYPABPC1EIF4HMEN1
SCHEMBL27719184 0.77 NSD2 (0.58) NSD2ACLYPABPC1EIF4HMEN1

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-20110223116-A1 APPARATUS AND METHOD FOR AEROSOL DELIVERY TO THE LUNGS OR OTHER LOCATIONS OF THE BODY Penn-Century, Inc. (US) 2011-09-15 US disclosed