SCHEMBL23960347

SCHEMBL23960347

CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 17/20 0.68
MMP8 P22894 13/20 0.68
MMP1 P03956 7/20 0.68
MMP3 P08254 6/20 0.68
MMP2 P08253 18/20 0.65
MMP14 P50281 3/20 0.63
ADAM10 O14672 1/20 0.63
ADAM12 O43184 1/20 0.63
ADAMTS4 O75173 1/20 0.63
MMP7 P09237 1/20 0.63
MMP12 P39900 1/20 0.63
MMP13 P45452 1/20 0.63
MMP15 P51511 1/20 0.63
MMP16 P51512 1/20 0.63
ADAM17 P78536 1/20 0.63
ADAM9 Q13443 1/20 0.63
MMP26 Q9NRE1 1/20 0.63
MMP17 Q9ULZ9 1/20 0.63
ADAMTS5 Q9UNA0 1/20 0.63

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
SCHEMBL25139560 0.89 MMP9 (0.70) MMP9MMP8MMP1MMP3MMP2
SCHEMBL23381024 0.88 ALOX15 (0.60) MMP9MMP8MMP14
SCHEMBL12569733 0.87 MMP9 (0.64) MMP9MMP8MMP1MMP3MMP2
SCHEMBL30051742 0.87 ACE (0.68)
SCHEMBL16298104 0.87 MMP2 (0.64) MMP9MMP8MMP1MMP3MMP2
SCHEMBL25139559 0.86 MMP9 (0.76) MMP9MMP8MMP1MMP3MMP2
SCHEMBL1407978 0.86 ALOX15 (0.68)
SCHEMBL1407979 0.86 ALOX15 (0.68)
SCHEMBL3787557 0.86 MMP9 (0.72) MMP9MMP8MMP1MMP3MMP2
SCHEMBL24814079 0.86 MMP9 (0.69) MMP9MMP8MMP1MMP3MMP2

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-2021217019-A1 RAS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-28 WO disclosed