SCHEMBL27713639

SCHEMBL27713639

COc1cccc(C#CC(CS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)NCO)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
DRD4 P21917 1/20 0.44
CYP3A4 P08684 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.42
MAPT P10636 3/20 0.42
CACNA1G O43497 1/20 0.42
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 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
SCHEMBL2156511 0.92 ALDH1A1 (0.46) ALDH1A1DRD4CYP3A4MMP13MMP14
SCHEMBL2155028 0.90 ALDH1A1 (0.47) ALDH1A1DRD4CYP3A4MMP13MMP14
SCHEMBL2155679 0.85 HDAC3 (0.45) ALDH1A1DRD4POLBMEN1KMT2A
SCHEMBL2155025 0.82 MMP13 (0.57) ALDH1A1DRD4CYP3A4MMP13MMP14
SCHEMBL2155418 0.79 KMT2A (0.45) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL16493549 0.79 MAPT (0.47) ALDH1A1DRD4POLBMAPTCACNA1G
SCHEMBL16493548 0.78 ALDH1A1 (0.46) ALDH1A1DRD4CYP3A4MMP13MMP14
SCHEMBL2156466 0.78 HDAC3 (0.45) ALDH1A1DRD4MMP13MMP14POLB
SCHEMBL27713627 0.78 LMNA (0.45) ALDH1A1DRD4POLBMEN1KMT2A
SCHEMBL2156162 0.77 TP53 (0.50) ALDH1A1CYP3A4MMP13MMP14POLB

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