SCHEMBL6724062

SCHEMBL6724062

C=CCOC(=O)C(CCn1c(=O)c2ccccc2n(COCc2ccccc2)c1=O)N(C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.40
ALDH1A1 P00352 2/20 0.36
MAPT P10636 3/20 0.35
MMP2 P08253 3/20 0.34
MMP9 P14780 3/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
BACE1 P56817 3/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
KDM4E B2RXH2 1/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CCR5 P51681 2/20 0.33

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
SCHEMBL6726942 0.90 DUT (0.44) DUTALDH1A1MAPTMMP2MMP9
SCHEMBL6722449 0.89 DUT (0.41) DUTALDH1A1MAPTMMP2MMP9
SCHEMBL7847823 0.88 DUT (0.46) DUTALDH1A1MAPTMMP2MMP9
SCHEMBL6719618 0.84 ADAM17 (0.37) MAPTMMP2MMP9HDAC8HDAC6
SCHEMBL6722415 0.82 DUT (0.44) DUTMMP2MMP9MMP1MMP3
SCHEMBL6722486 0.80 DUT (0.46) DUTMMP2MMP9MMP1MMP13
SCHEMBL6722535 0.79 NPC1 (0.36) DUTALDH1A1MMP2MMP9BACE1
SCHEMBL6719791 0.79 DUT (0.38) DUTALDH1A1MAPTMMP2MMP9
SCHEMBL6730583 0.78 DUT (0.48) DUTALDH1A1MAPTMMP2MMP9
SCHEMBL6723939 0.78 DUT (0.45) DUTMMP2MMP9MMP13

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
US-6673804-B1 PREVENTING OR TREATING ARTHRITIS (PARTICULARLY OSTEOARTHRITIS) OR INHIBITING METASTASIS, INVASION OR GROWTH OF CANCER (PARTICULARLY BREAST CANCER) SANKYO COMPANY, LIMITED (JP) 2004-01-06 US disclosed
EP-1069110-A1 SULFONAMIDE DERIVATIVES Sankyo Company Limited (JP) 2001-01-17 EP disclosed