SCHEMBL27713622

SCHEMBL27713622

CCCCCC#CC(CS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
MMP13 P45452 1/20 0.47
CXCR3 P49682 10/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ABL1 P00519 1/20 0.43
LMNA P02545 1/20 0.43
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
GPR119 Q8TDV5 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
SCHEMBL27693726 0.97 KDM4E (0.49) CYP3A4MMP13CXCR3SMN1; SMN2HPGD
SCHEMBL2155282 0.90 CYP3A4 (0.48) CYP3A4MMP13CXCR3SMN1; SMN2HPGD
SCHEMBL2156913 0.87 KDM4E (0.47) CYP3A4MMP13CXCR3SMN1; SMN2HPGD
SCHEMBL27693739 0.87 TP53 (0.42) CYP3A4MMP13KDM4E
SCHEMBL2156843 0.85 CYP3A4 (0.49) CYP3A4MMP13CXCR3SMN1; SMN2HPGD
SCHEMBL27693900 0.83 KDM4E (0.55) HPGDKDM4EF13A1TGM2TGM1
SCHEMBL2156421 0.83 KDM4E (0.49) CYP3A4MMP13CXCR3SMN1; SMN2HPGD
SCHEMBL2155277 0.83 CYP3A4 (0.58) CYP3A4MMP13CXCR3SMN1; SMN2HPGD
SCHEMBL5507351 0.82 CXCR3 (0.53) CYP3A4MMP13CXCR3SMN1; SMN2HPGD
SCHEMBL2156908 0.80 CYP3A4 (0.56) CYP3A4MMP13CXCR3SMN1; SMN2HPGD

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