SCHEMBL6861072

SCHEMBL6861072

NCC(CC[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO)C1NC=CN1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.44
MMP1 P03956 9/20 0.41
MMP2 P08253 5/20 0.41
MMP9 P14780 5/20 0.41
MMP7 P09237 2/20 0.40
MMP3 P08254 1/20 0.40
ADAM17 P78536 4/20 0.40
ADAMTS4 O75173 1/20 0.40
ADAMTS1 Q9UHI8 1/20 0.40
ADAMTS7 Q9UKP4 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
BMP1 P13497 1/20 0.40
ADAM10 O14672 2/20 0.40
ADAM8 P78325 2/20 0.40
MMP14 P50281 2/20 0.40
MMP12 P39900 1/20 0.40

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
SCHEMBL1802607 0.80 MMP2 (0.52) MMP13MMP1MMP2MMP9MMP7
SCHEMBL1801386 0.75 ADAMTS7 (0.50) MMP13MMP1MMP2MMP9MMP7
SCHEMBL1801383 0.75 ADAMTS7 (0.50) MMP13MMP1MMP2MMP9MMP7
SCHEMBL4377322 0.74 ADAM17 (0.56) MMP13MMP1MMP2MMP9MMP7
SCHEMBL1800019 0.70 MMP2 (0.62) MMP13MMP1MMP2MMP9MMP7
SCHEMBL4290532 0.70 ADAM17 (0.50) MMP13MMP1MMP2MMP9MMP7
SCHEMBL8016573 0.70 MMP7 (0.65) MMP13MMP1MMP2MMP9MMP7
SCHEMBL1796951 0.70 MMP1 (0.60) MMP13MMP1MMP2MMP9MMP7
SCHEMBL1796948 0.70 MMP1 (0.60) MMP13MMP1MMP2MMP9MMP7
SCHEMBL8391505 0.70 ALDH1A1 (0.57) MMP1MMP2MMP9MMP7ADAM17

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-1461313-A1 HUMAN ADAM-10 INHIBITORS Exelixis, Inc. (US) 2004-09-29 EP disclosed
WO-2003051825-A1 HUMAN ADAM-10 INHIBITORS EXELIXIS, INC. (US) 2003-06-26 WO disclosed