SCHEMBL6378455

SCHEMBL6378455

CC1(Oc2ccc(Oc3ccc(C#N)cc3)cc2)C(=O)NC(=O)NC1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP14 P50281 7/20 0.60
▸ MMP13 P45452 7/20 0.58
▸ MMP2 P08253 3/20 0.44
▸ MMP9 P14780 3/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ PARP15 Q460N3 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ IL18 Q14116 1/20 0.42
▸ PGR P06401 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
SCHEMBL6377577 0.81 MMP2 (0.66) MMP14MMP13MMP2MMP9MMP3
SCHEMBL6381224 0.81 MMP13 (0.65) MMP14MMP13MMP2MMP9MMP3
SCHEMBL222118 0.80 MMP13 (0.63) MMP14MMP13MMP2MMP9MMP3
SCHEMBL6378906 0.80 MMP13 (0.90) MMP14MMP13MMP2MMP9MMP3
SCHEMBL6377105 0.76 MMP14 (0.60) MMP14MMP13MMP2MMP9MMP3
SCHEMBL6391788 0.73 MMP14 (0.93) MMP14MMP13
SCHEMBL6379193 0.72 MMP13 (0.66) MMP14MMP13MMP2MMP9MMP3
SCHEMBL6379017 0.72 MMP14 (0.62) MMP14MMP13MMP2MMP9MMP3
SCHEMBL8852392 0.72 PARP15 (0.63) MMP3PARP15PARP10PARP2KDM4E
SCHEMBL7041250 0.72 PARP15 (0.63) MMP3PARP15PARP10PARP2KDM4E

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-1202974-B1 PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2005-11-09 — — EP disclosed
US-6579982-B1 Treating inflammation, cancer PFIZER INC. 2003-06-17 — — US disclosed
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