SCHEMBL11068798

SCHEMBL11068798

CC(=CNCc1ccco1)NCc1ccco1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 4/20 0.48
EPHX2 P34913 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL12735094 0.75 KMT2A (0.64) POLBALDH1A1KMT2AMAPTMEN1
SCHEMBL14068148 0.75 KMT2A (0.54) POLBRAB9AALDH1A1KMT2AMAPT
SCHEMBL48668 0.75 ALDH1A1 (0.62) POLBRAB9AALDH1A1KMT2AMAPT
SCHEMBL4506589 0.74
SCHEMBL22306362 0.73 LMNA (0.43) POLBALDH1A1KMT2AMAPTMEN1
SCHEMBL9301511 0.72 POLB (0.64) POLBRAB9AALDH1A1KMT2AMAPT
SCHEMBL28837940 0.72 KDM4E (0.52) POLBRAB9AALDH1A1MAPTKDM4E
SCHEMBL24575916 0.71 EPHX2 (0.83) POLBRAB9AALDH1A1KMT2AMAPT
SCHEMBL18050213 0.71 KMT2A (0.68) POLBRAB9AALDH1A1KMT2AMAPT
SCHEMBL14694017 0.71 ALDH1A1 (0.66) POLBALDH1A1KMT2AMAPTMEN1

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-RE31670-E ADHESIVES; COATINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-09-11 US disclosed
EP-0039156-B1 ONE-PART SOLVENT-FREE THERMOSETTABLE PREPOLYMER COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-08-29 EP disclosed
EP-0039156-A1 One-part solvent-free thermosettable prepolymer composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-11-04 EP disclosed
US-4273909-A One-part solvent-free thermosettable blocked prepolymer composition containing a diene, together with chain extender, chain terminator and a dienophile MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-06-16 US disclosed