SCHEMBL6567168

SCHEMBL6567168

O=c1oc(C2(c3nc4ccc(I)cc4c(=O)o3)CCCCC2)nc2ccc(I)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.37
C1R P00736 7/20 0.35
PARP1 P09874 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
TYMS P04818 2/20 0.33
F2 P00734 1/20 0.31

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
SCHEMBL6565947 0.83 MEN1 (0.46) ELANE
SCHEMBL6565063 0.83 C1R (0.46) ELANEC1R
SCHEMBL6566035 0.83 ELANE (0.57) ELANEC1R
SCHEMBL6564027 0.81 IP6K1 (0.40) ELANE
SCHEMBL6564012 0.80 C1R (0.49) C1RF2
SCHEMBL6563999 0.80 ELANE (0.43) ELANETYMS
SCHEMBL6564170 0.79 ALDH1A1 (0.42) ELANEPARP1
SCHEMBL6565230 0.77 SMN1; SMN2 (0.44) ELANETYMS
SCHEMBL6564183 0.76 KMT2A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6566028 0.76 SIGMAR1 (0.36) ELANE

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