SCHEMBL7225019

SCHEMBL7225019

N#Cc1ccc(-c2ccc(OCC(CCn3nnc4ccccc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.82
MMP3 P08254 8/20 0.82
MMP9 P14780 8/20 0.82
MMP13 P45452 8/20 0.82
MMP1 P03956 5/20 0.82
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
HIF1A Q16665 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7223278 0.92 MMP2 (0.82) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7223589 0.90 MMP2 (1.00) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7224963 0.89 MMP2 (0.81) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6292126 0.86 MMP2 (0.64) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7231571 0.85 MMP2 (0.71) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7223222 0.85 MMP2 (0.71) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7232243 0.83 MMP2 (0.68) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7223434 0.83 MMP2 (1.00) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7222078 0.79 MMP2 (1.00) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7551832 0.79 MMP2 (0.62) MMP2MMP3MMP9MMP13MMP1

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
US-6605604-B1 Tumour necrosis factor alpha release inhibitors; efficiency treatment of cancers, rheumatic diseases, arthritis, ulcers, atherosclerosis, asthma LES LABORATOIRES SERVIER (FR) 2003-08-12 US disclosed