SCHEMBL4372686

SCHEMBL4372686

NCCCC[C@@H](N)C(=O)N(O)S(=O)(=O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.43
DPP9 Q86TI2 1/20 0.37
WNT3A P56704 4/20 0.35
FYN P06241 1/20 0.35
MLNR O43193 4/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
CYP11B1 P15538 1/20 0.33
KMO O15229 1/20 0.33
SYK P43405 1/20 0.32

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
SCHEMBL4372704 0.86 HPGDS (0.41) HPGDSWNT3AFYNMLNRTRPM8
SCHEMBL3879768 0.85 WNT3A (0.40) HPGDSWNT3AMLNR
SCHEMBL4372679 0.76 MMP2 (0.47) HPGDSMMP2MMP9
SCHEMBL4377641 0.73 MMP2 (0.40) HPGDSWNT3AMLNRMMP2MMP9
SCHEMBL6864486 0.73 WNT3A (0.39) HPGDSWNT3AMLNRTRPM8
SCHEMBL3879230 0.72 MMP2 (0.44) DPP9MMP2MMP9
SCHEMBL4542075 0.72 HPGDS (0.42) HPGDSWNT3AFYNMLNR
SCHEMBL1800259 0.70 HPGDS (0.39) HPGDSWNT3AMLNRMMP2MMP9
SCHEMBL3871098 0.70 HPGDS (0.37) HPGDSMMP2MMP9CTSLCTSB
SCHEMBL4374530 0.70 MMP2 (0.36) HPGDSMMP2MMP9

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-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed