SCHEMBL6317239

SCHEMBL6317239

COc1ccc(-c2ccccc2N=C=O)c(N=C=O)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 3/20 0.42
HPGD P15428 2/20 0.42
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
POLB P06746 1/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 1/20 0.36
DUSP3 P51452 1/20 0.36
PTGS2 P35354 2/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 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
SCHEMBL9569412 0.77 CYP3A4 (0.45) CYP3A4RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL30438740 0.75 CYP3A4 (0.57) CYP3A4RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1332133 0.75 CYP3A4 (0.57) CYP3A4RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL9183951 0.74 CYP3A4 (0.50) CYP3A4ALDH1A1TDP1HPGDGABRA1
SCHEMBL112824 0.74 CYP3A4 (0.56) CYP3A4RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5321194 0.74 ALDH1A1 (0.41) CYP3A4RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11129483 0.73 CYP3A4 (0.54) CYP3A4RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3126914 0.73 CYP3A4 (0.58) CYP3A4RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL440576 0.73 GABRA1 (0.46) CYP3A4ALDH1A1TDP1HPGDMAPT
SCHEMBL3213502 0.73 CYP3A4 (0.50) CYP3A4RAB9ASMN1; SMN2NPC1ALDH1A1

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
US-6914098-B2 Acrylic elastomer and its composition NIPPON MEKIRON, LIMITED (JP) 2005-07-05 US disclosed
EP-0943657-B1 Acrylic elastomer composition NIPPON MEKTRON KK (JP) 2004-07-14 EP disclosed
US-20040087729-A1 Acrylic elastomer and its composition MORIYAMA IWAO (JP) 2004-05-06 US disclosed
US-20040019154-A1 Acrylic elastomer and its composition MORIYAMA IWAO (JP) 2004-01-29 US disclosed
US-20020037970-A1 Acrylic elastomer composition MORIYAMA IWAO (JP) 2002-03-28 US disclosed
US-20010005742-A1 Acrylic elastomer and its composition NIPPON MEKTRON, LIMITED 2001-06-28 US disclosed
EP-1110980-A1 Acrylic elastomer and its composition Nippon Mektron, Limited (JP) 2001-06-27 EP disclosed
EP-0943657-A2 Acrylic elastomer composition Nippon Mektron, Limited (JP) 1999-09-22 EP disclosed