SCHEMBL6564050

SCHEMBL6564050

O=c1oc(C2CCCCC2c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
APEX1 P27695 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACHE P22303 3/20 0.43
ELANE P08246 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
RIPK1 Q13546 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
C1R P00736 1/20 0.40
PARP1 P09874 1/20 0.40
TXN P10599 1/20 0.40

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
SCHEMBL6567166 0.79 ELANE (0.38) ELANEC1RPARP1
SCHEMBL6565060 0.79 C1R (0.47) APEX1TDP1ACHEELANEL3MBTL1
SCHEMBL6566030 0.79 ELANE (0.59) RAB9AMEN1KMT2AMAPTELANE
SCHEMBL6565946 0.79 ALDH1A1 (0.47) RAB9AMEN1KMT2AMAPTACHE
SCHEMBL10658449 0.78 APEX1 (0.47) RAB9AAPEX1MEN1KMT2AMAPT
SCHEMBL6563997 0.75 ELANE (0.44) MEN1KMT2AELANEL3MBTL1ALDH1A1
SCHEMBL6564006 0.75 C1R (0.50) RAB9AKMT2AMAPTACHEALDH1A1
SCHEMBL2256405 0.75 ELANE (0.62) RAB9AAPEX1MEN1KMT2AMAPT
SCHEMBL6564167 0.74 ALDH1A1 (0.40) RAB9AMEN1KMT2AELANEL3MBTL1
SCHEMBL6567163 0.74 APEX1 (0.55) RAB9AAPEX1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993965-B1 Thermally sensitive recording medium JUJO PAPER CO LTD (JP) 2004-03-31 EP disclosed
US-6440897-B1 BIS-BENZOXAZINONE COMPOUND AS AN ULTRAVIOLET RAY ABSORBING AGENT NIPPON PAPER INDUSTRIES CO LTD (JP) 2002-08-27 US disclosed
EP-0993965-A2 Thermally sensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2000-04-19 EP disclosed