SCHEMBL6170686

SCHEMBL6170686

COc1ccc(Oc2ccccc2-c2nc(-c3ccccc3F)co2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MMP13 P45452 3/20 0.47
ENPP1 P22413 3/20 0.47
ENPP3 O14638 2/20 0.47
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41

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
SCHEMBL5836665 0.86 ENPP3 (0.61) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL6170693 0.85 MMP13 (0.55) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL6170726 0.78 MMP13 (0.50) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5836726 0.73 MMP13 (0.55) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL6170731 0.71 MMP13 (0.44) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL9507810 0.69 NPC1 (0.69) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5836663 0.68 MMP13 (0.50) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5836404 0.68 MMP13 (0.62) MAPTRAB9ANPC1SMN1; SMN2MMP13
SCHEMBL5836271 0.68 ENPP3 (0.89) MAPTRAB9ANPC1SMN1; SMN2MMP13
SCHEMBL20385737 0.67 ENPP3 (0.51) MAPTRAB9ANPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501515-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2005-02-02 EP disclosed
WO-2003090752-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-11-06 WO disclosed