SCHEMBL6974852

SCHEMBL6974852

O=C(NO)OC1(CS(=O)(=O)N2CCN(c3ncc(-c4ccc(F)cc4)cn3)CC2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.43
MMP13 P45452 5/20 0.40
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
MMP1 P03956 3/20 0.39
HDAC6 Q9UBN7 5/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MMP2 P08253 2/20 0.36

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
SCHEMBL6783061 0.85 MMP2 (0.45) ADAMTS4MMP13ABL1BCRMMP1
SCHEMBL6786249 0.82 ADAMTS4 (0.47) ADAMTS4MMP13ABL1BCRMMP1
SCHEMBL6977692 0.79 MMP2 (0.40) ADAMTS4MMP13MMP1HDAC6HDAC1
SCHEMBL6788003 0.77 MMP13 (0.43) ADAMTS4MMP13MMP1HDAC6HDAC3
SCHEMBL6968740 0.75 MMP2 (0.41) ADAMTS4MMP13MMP1MMP2MMP14
SCHEMBL6785472 0.75 MMP13 (0.44) ADAMTS4MMP13CYP3A4LMNAPOLB
SCHEMBL6967936 0.74 MMP2 (0.40) ADAMTS4MMP13MMP1HDAC2POLB
SCHEMBL6788336 0.74 MMP13 (0.44) ADAMTS4MMP13CYP3A4LMNAPOLB
SCHEMBL7119358 0.72 MMP13 (0.44) ADAMTS4MMP13CYP3A4LMNAPOLB
SCHEMBL6969646 0.72 HDAC6 (0.43) HDAC6HDAC3HDAC4HDAC1HDAC7

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
EP-1282614-B1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-11-12 EP claimed