SCHEMBL6730583

SCHEMBL6730583

CN(C(CCn1c(=O)c2ccccc2n(CO)c1=O)C(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.48
BACE1 P56817 2/20 0.40
MMP2 P08253 6/20 0.39
MMP9 P14780 6/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
MMP13 P45452 2/20 0.38
MMP14 P50281 2/20 0.38
MMP8 P22894 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL6726788 0.91 DUT (0.51) DUTBACE1MMP2MMP9ALDH1A1
SCHEMBL6726942 0.88 DUT (0.44) DUTBACE1MMP2MMP9ALDH1A1
SCHEMBL6724138 0.81 DUT (0.55) DUTMMP2MMP9ALDH1A1LMNA
SCHEMBL7847823 0.80 DUT (0.46) DUTBACE1MMP2MMP9ALDH1A1
SCHEMBL6719609 0.79 DUT (0.56) DUTMMP2MMP9LMNAMMP1
SCHEMBL6723691 0.78 DUT (0.48) DUTLMNASMN1; SMN2
SCHEMBL6724062 0.78 DUT (0.40) DUTBACE1MMP2MMP9ALDH1A1
SCHEMBL6723951 0.78 DUT (0.54) DUTMMP2MMP9LMNAMMP1
SCHEMBL6722449 0.78 DUT (0.41) DUTBACE1MMP2MMP9ALDH1A1
SCHEMBL6722436 0.78 DUT (0.53) DUTMMP2MMP9LMNAMMP1

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