SCHEMBL5265986

SCHEMBL5265986

O=C(O)c1nc2scc(COCc3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.48
MMP13 P45452 6/20 0.43
MMP8 P22894 3/20 0.43
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MMP2 P08253 3/20 0.39
MMP10 P09238 3/20 0.39
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 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
SCHEMBL688025 0.91 EGLN1 (0.44) EGLN1MMP13MMP8KMT2AALDH1A1
SCHEMBL4935715 0.87 ALDH1A1 (0.50) EGLN1MMP13MMP8KMT2AALDH1A1
SCHEMBL4936417 0.83 MMP13 (0.49) EGLN1MMP13MMP8KMT2AKDM4E
SCHEMBL4930446 0.78 MMP13 (0.54) MMP13MMP8MMP2MMP10
SCHEMBL4936609 0.78 MMP13 (0.47) EGLN1MMP13MMP8MMP2MMP10
SCHEMBL689082 0.78 ALDH1A1 (0.49) EGLN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL4937662 0.78 MMP13 (0.51) MMP13MMP8MMP2MMP10
SCHEMBL4934644 0.78 MMP13 (0.56) MMP13MMP8POLBMMP2MMP10
SCHEMBL8186314 0.77 EGLN1 (0.42) EGLN1MMP13MMP8KMT2AALDH1A1
SCHEMBL4936900 0.77 ALDH1A1 (0.48) MMP13KMT2AALDH1A1KDM4EPOLB

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
EP-1740551-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO disclosed