SCHEMBL9064366

SCHEMBL9064366

O=C1OC(=O)c2cc(N=C=S)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 3/20 0.41
P2RY6 Q15077 2/20 0.38
CYP3A4 P08684 3/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 2/20 0.38
LTA P01374 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
P2RX3 P56373 2/20 0.38
RAD51 Q06609 2/20 0.38
HSD17B10 Q99714 2/20 0.38
RAD1 O60671 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PNMT P11086 1/20 0.36
TYMS P04818 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL9480950 0.83 TDP1 (0.46) TDP1ALOX15ALDH1A1CYP3A4CA1
SCHEMBL9611209 0.82 ALOX15 (0.50) TDP1ALOX15ALDH1A1MAPTCA1
SCHEMBL10339047 0.82 ALOX15 (0.50) TDP1ALOX15ALDH1A1MAPTCA1
SCHEMBL15432851 0.78 CYP2C19 (0.49) MIFTDP1ALDH1A1P2RY6CYP3A4
SCHEMBL13664662 0.76 CYP2C19 (0.51) MIFTDP1ALDH1A1P2RY6CYP3A4
SCHEMBL12559908 0.76 TDP1 (0.48) TDP1ALOX15ALDH1A1CYP3A4MAPT
SCHEMBL8940394 0.75 ALOX15 (0.46) TDP1ALOX15ALDH1A1CA1CA2
SCHEMBL16640716 0.73 TDP1 (0.40) TDP1ALOX15ALDH1A1KDM4EMAPT
Bitoscanate SCHEMBL11598436 0.69 MIF (0.68) MIFTDP1ALOX15ALDH1A1P2RY6
SCHEMBL483888 0.68 MIF (0.67) MIFTDP1ALOX15ALDH1A1P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0653941-A1 TARGETED DELIVERY OF GROWTH FACTORS FOR BONE REGENERATION THE DOW CHEMICAL COMPANY (US) 1995-05-24 EP claimed
CN-1092076-A The target release of growth factors for bone regeneration DOW CHEMICAL CO (US) 1994-09-14 CN claimed
WO-1994000145-A1 TARGETED DELIVERY OF GROWTH FACTORS FOR BONE REGENERATION THE DOW CHEMICAL COMPANY (US) 1994-01-06 WO claimed
US-5505931-A ISOTHIOCYANATE CONTAINING ANHYDRIDE COMPOUNDS; USEFUL FOR CONTROLLED RELEASE OF NUCLEOPHILIC GROUP OF DIAGNOSTIC OR THERAPEUTIC AGENT THE DOW CHEMICAL COMPANY (US) 1996-04-09 US disclosed
EP-0687261-A1 ACID CLEAVABLE COMPOUNDS, THEIR PREPARATION AND USE AS BIFUNCTIONAL ACID-LABILE CROSSLINKING AGENTS DENDRITECH, INC. (US) 1995-12-20 EP disclosed
EP-0653941-A1 TARGETED DELIVERY OF GROWTH FACTORS FOR BONE REGENERATION THE DOW CHEMICAL COMPANY (US) 1995-05-24 EP disclosed
WO-1994020487-A1 ACID CLEAVABLE COMPOUNDS, THEIR PREPARATION AND USE AS BIFUNCTIONAL ACID-LABILE CROSSLINKING AGENTS THE DOW CHEMICAL COMPANY (US) 1994-09-15 WO disclosed
WO-1994000145-A1 TARGETED DELIVERY OF GROWTH FACTORS FOR BONE REGENERATION THE DOW CHEMICAL COMPANY (US) 1994-01-06 WO disclosed