SCHEMBL6564055

SCHEMBL6564055

O=c1oc(C2(c3nc4ccc([N+](=O)[O-])cc4c(=O)o3)CCCCC2)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
ACHE P22303 3/20 0.43
ELANE P08246 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.40
C1R P00736 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6566035 0.79 ELANE (0.57) MEN1KMT2AMAPTRAB9AACHE
SCHEMBL6567168 0.79 ELANE (0.37) ELANEC1RPARP1
SCHEMBL6564012 0.76 C1R (0.49) KMT2AMAPTRAB9AACHEALDH1A1
SCHEMBL6564170 0.75 ALDH1A1 (0.42) MEN1KMT2AMAPTRAB9AACHE
SCHEMBL2256405 0.74 ELANE (0.62) APEX1MEN1KMT2AMAPTRAB9A
SCHEMBL6564050 0.73 RAB9A (0.52) APEX1MEN1KMT2AMAPTRAB9A
SCHEMBL6563905 0.73 RAB9A (0.78) APEX1MEN1KMT2AMAPTRAB9A
SCHEMBL6567163 0.73 APEX1 (0.55) APEX1MEN1KMT2AMAPTRAB9A
SCHEMBL6565230 0.73 SMN1; SMN2 (0.44) MEN1KMT2AMAPTRAB9AELANE
SCHEMBL10658449 0.72 APEX1 (0.47) APEX1MEN1KMT2AMAPTRAB9A

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