SCHEMBL6989809

SCHEMBL6989809

COc1ccc(C(c2ccc(OC)cc2)N(C(=O)c2ccnc(C(=O)N(C(c3ccc(OC)cc3)c3ccc(OC)cc3)C(c3ccc(OC)cc3)c3ccc(OC)cc3)c2)C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 2/20 0.39
CDK5 Q00535 2/20 0.39
PAX8 Q06710 2/20 0.39
CDK5R1 Q15078 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.37
RIOK2 Q9BVS4 1/20 0.37
PROKR1 Q8TCW9 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PDE2A O00408 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL6989808 0.92 KDM4C (0.48) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL6990533 0.74 SLC2A1 (0.53) MAPTKMT2AMEN1ALDH1A1
SCHEMBL6990114 0.72 LPAR1 (0.49) SMN1; SMN2HPGDLMNAKMT2AMEN1
SCHEMBL27071638 0.72 CCR1 (0.44) NPC1RAB9ALMNAMAPTRIOK2
SCHEMBL5213278 0.71 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2PKMCDK5
SCHEMBL19632157 0.68 KDM4C (0.57) NPC1RAB9ASMN1; SMN2PKMCDK5
SCHEMBL6990109 0.68 LPAR1 (0.53) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL19615626 0.67 CA1 (0.57) NPC1RAB9ASMN1; SMN2PKMCDK5
SCHEMBL6988718 0.67 RAB9A (0.41) NPC1RAB9ASMN1; SMN2PKMCYP1A2
SCHEMBL6990355 0.66 SLC2A1 (0.61) SMN1; SMN2HPGD

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-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed