SCHEMBL3739640

SCHEMBL3739640

COc1ccc(OC)c(/C=N/O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.56
CYP1B1 Q16678 3/20 0.56
NFE2L2 Q16236 2/20 0.56
CYP1A2 P05177 2/20 0.56
JUN P05412 1/20 0.56
NFKB1 P19838 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.51
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL3739643 1.00 CYP1A1 (0.56) CYP1A1CYP1B1NFE2L2CYP1A2JUN
SCHEMBL2009040 0.85 GRIN2D (0.64) CYP1A1CYP1B1NFE2L2CYP1A2KMT2A
SCHEMBL8237102 0.85 GRIN2D (0.64) CYP1A1CYP1B1NFE2L2CYP1A2KMT2A
SCHEMBL2009041 0.85 GRIN2D (0.64) CYP1A1CYP1B1NFE2L2CYP1A2KMT2A
SCHEMBL30481109 0.85 GRIN2D (0.64) CYP1A1CYP1B1NFE2L2CYP1A2KMT2A
SCHEMBL11848327 0.85 CYP1A1 (0.59) CYP1A1CYP1B1NFE2L2CYP1A2JUN
SCHEMBL8844962 0.84 HPGD (0.57) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL8844956 0.84 HPGD (0.57) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL8207538 0.83 CYP1A1 (0.58) CYP1A1CYP1B1NFE2L2CYP1A2JUN
SCHEMBL2315188 0.81 CYP1A1 (0.56) CYP1A1CYP1B1NFE2L2CYP1A2JUN

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
US-7829257-B2 Photosensitive resin composition CIBA SPECIALTY CHEMICALS CORP. (US) 2010-11-09 US disclosed
US-20020020832-A1 Photosensitive resin composition CIBA SPECIALTY CHEMICALS CORP. 2002-02-21 US disclosed