SCHEMBL7219824

SCHEMBL7219824

O=C(Oc1ccc2ccoc2c1)c1ccco1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 15/20 0.72
HSD17B10 Q99714 3/20 0.70
ALDH1A1 P00352 2/20 0.70
F2 P00734 2/20 0.55
ESR1 P03372 2/20 0.55
MAPT P10636 6/20 0.55
KDM4E B2RXH2 4/20 0.55
GLA P06280 3/20 0.55
GAA P10253 3/20 0.55
USP2 O75604 1/20 0.55
S1PR2 O95136 1/20 0.55
S1PR4 O95977 1/20 0.55
HPGD P15428 1/20 0.55
S1PR1 P21453 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
LMNA P02545 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL13381577 0.80 KMT2A (0.75) KMT2AHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL13791553 0.78 KMT2A (0.85) KMT2AHSD17B10ALDH1A1F2MAPT
SCHEMBL7216010 0.78 KMT2A (0.67) KMT2AHSD17B10ALDH1A1F2ESR1
SCHEMBL28063309 0.78 KMT2A (0.78) KMT2AHSD17B10ALDH1A1F2ESR1
SCHEMBL15495628 0.78 KDM4E (0.64) KMT2AHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL7213990 0.77 KMT2A (0.70) KMT2AHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL12216196 0.76 MRGPRX4 (0.46) KMT2AHSD17B10ALDH1A1KDM4EGLA
SCHEMBL11043060 0.74 KMT2A (0.68) KMT2AHSD17B10ALDH1A1F2MAPT
SCHEMBL27717154 0.74 KMT2A (0.76) KMT2AHSD17B10ALDH1A1F2ESR1
SCHEMBL5943067 0.73 KMT2A (0.76) KMT2AHSD17B10ALDH1A1F2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653340-B1 2-amidino-5 or 6-benzofuranyl or benzothiophenyl 2-furanyl, thiophenyl or benzyl carboxylates; serine protease inhibitors potent against Factor D of the alternate complement pathway BIOCRYST PHARMACEUTICALS, INC. 2003-11-25 US claimed
EP-1066272-A4 NOVEL COMPOUNDS USEFUL IN THE COMPLEMENT, COAGULAT AND KALLIKREIN PATHWAYS AND METHOD FOR THEIR PREPARATION BIOCRYST PHARM INC (US) 2002-03-13 EP claimed
EP-1066272-A1 NOVEL COMPOUNDS USEFUL IN THE COMPLEMENT, COAGULAT AND KALLIKREIN PATHWAYS AND METHOD FOR THEIR PREPARATION BIOCRYST PHARMACEUTICALS INC. (US) 2001-01-10 EP claimed
WO-1998055471-A1 NOVEL COMPOUNDS USEFUL IN THE COMPLEMENT, COAGULAT AND KALLIKREIN PATHWAYS AND METHOD FOR THEIR PREPARATION BIOCRYST PHARMACEUTICALS, INC. (US) 1998-12-10 WO claimed