SCHEMBL27713627

SCHEMBL27713627

COc1ccc(N2CCN(S(=O)(=O)CC(C#Cc3cccc(OC)c3)C(N)=O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
KMT2A Q03164 2/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 3/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.41
DRD4 P21917 1/20 0.41
THRB P10828 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
SCHEMBL27693768 0.92 MAPT (0.47) LMNAKMT2AMAPTALDH1A1GAA
SCHEMBL27693734 0.90 KMT2A (0.44) KMT2AMAPTALDH1A1TP53MEN1
SCHEMBL2156466 0.89 HDAC3 (0.45) LMNAKMT2AMAPTALDH1A1GAA
SCHEMBL4959154 0.86 ALDH1A1 (0.44) LMNAKMT2AMAPTALDH1A1GAA
SCHEMBL2155679 0.84 HDAC3 (0.45) LMNAKMT2AMAPTALDH1A1GAA
SCHEMBL2156463 0.81 CYP3A4 (0.48) LMNAKMT2AMAPTALDH1A1GAA
SCHEMBL2155016 0.80 MAPT (0.48) LMNAKMT2AMAPTALDH1A1GAA
SCHEMBL2154943 0.79 GFER (0.45) KMT2AMAPTALDH1A1TP53MEN1
SCHEMBL27713759 0.79 TP53 (0.43) LMNAKMT2AMAPTTP53MEN1
SCHEMBL27693727 0.78 TP53 (0.42) LMNAKMT2AMAPTALDH1A1TP53

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
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN claimed
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN disclosed