SCHEMBL8253085

SCHEMBL8253085

COC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)nc2c(F)cnn12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.57
ADAMTS4 O75173 2/20 0.57
MMP3 P08254 2/20 0.57
TRPV1 Q8NER1 2/20 0.40
P2RX7 Q99572 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MAPK1 P28482 3/20 0.37
RPS6KA1 Q15418 1/20 0.37
DGAT1 O75907 1/20 0.36
ALK Q9UM73 1/20 0.35
BDKRB1 P46663 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL8256282 0.92 MMP13 (0.61) MMP13ADAMTS4MMP3TRPV1P2RX7
SCHEMBL8254250 0.91 MMP13 (0.52) MMP13ADAMTS4MMP3TRPV1P2RX7
SCHEMBL10165658 0.90 MMP13 (0.48) MMP13ADAMTS4MMP3TRPV1P2RX7
SCHEMBL8252114 0.87 MMP13 (0.52) MMP13ADAMTS4MMP3MEN1KMT2A
SCHEMBL8252115 0.87 MMP13 (0.47) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10165576 0.87 MMP13 (0.47) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8256471 0.87 MMP13 (0.53) MMP13ADAMTS4MMP3TRPV1MEN1
SCHEMBL8246498 0.87 MMP13 (0.50) MMP13ADAMTS4MMP3MEN1KMT2A
SCHEMBL8253265 0.87 MMP13 (0.56) MMP13ADAMTS4MMP3TRPV1P2RX7
SCHEMBL8253184 0.86 MMP13 (0.52) MMP13ADAMTS4MMP3TRPV1P2RX7

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-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed