SCHEMBL8906233

SCHEMBL8906233

CNC(=O)[C@H](Cc1ccccc1F)C(Cc1csc2ccccc12)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
F10 P00742 2/20 0.40
TACR1 P25103 1/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CYP2A6 P11509 2/20 0.39
JUN P05412 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL8906136 0.87 MMP2 (0.47) MMP2MMP9MMP8SMN1; SMN2TP53
SCHEMBL8906242 0.81 ALOX5 (0.40) MMP2MMP9MMP8SMN1; SMN2F10
SCHEMBL8906770 0.76 CYP19A1 (0.41) MMP2MMP9MMP8CTSK
SCHEMBL5557511 0.76 MMP2 (0.54) MMP2MMP9MMP8SMN1; SMN2TP53
SCHEMBL8906236 0.76 MMP9 (0.55) MMP2MMP9MMP8SMN1; SMN2TP53
SCHEMBL28905932 0.70 CYP2A6 (0.54) SMN1; SMN2TP53RXFP1F10CYP2A6
SCHEMBL14401103 0.70 CYP2A6 (0.54) SMN1; SMN2TP53RXFP1F10CYP2A6
SCHEMBL20976930 0.70 MMP2 (0.52) MMP2MMP9MMP8SMN1; SMN2TP53
SCHEMBL14048310 0.70 MMP2 (0.52) MMP2MMP9MMP8SMN1; SMN2TP53
SCHEMBL12727418 0.70 MMP2 (0.52) MMP2MMP9MMP8SMN1; SMN2TP53

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
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed