SCHEMBL6889537

SCHEMBL6889537

COc1cc([N+](=O)[O-])[c]c([N+](=O)[O-])c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
PTGS2 P35354 1/20 0.42
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
HTT P42858 3/20 0.38
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL6035436 0.81 ERN1 (0.45) PKMHTTALDH1A1TDP1KDM4E
SCHEMBL5290351 0.70 TDP1 (0.42) PKMPTGS2TUBB4ATUBBTUBA3C
SCHEMBL6313062 0.70 PTGS2 (0.62) PKMPTGS2TUBB4ATUBBTUBA3C
SCHEMBL6047879 0.70 MAPK1 (0.43) PKMPTGS2HTTALDH1A1TDP1
SCHEMBL123690 0.69 ALDH1A1 (0.43) PKMPTGS2HTTALDH1A1TDP1
SCHEMBL6047883 0.68 RAB9A (0.42) PTGS2TDP1KDM4EMAPTMAPK1
SCHEMBL10332372 0.68 TSHR (0.41) PTGS2HTTALDH1A1TDP1SMN1; SMN2
SCHEMBL28046834 0.68 PKM (0.41) PKMPTGS2TUBB4ATUBBTUBA3C
SCHEMBL11197453 0.67 PKM (0.56) PKMPTGS2TUBB4ATUBBTUBA3C
SCHEMBL9348382 0.67 ALDH1A1 (0.53) PKMPTGS2TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399412-A1 PHOTOLABILE ESTERS AND THEIR USES The Institute of Cancer Research (GB) 2004-03-24 EP claimed
WO-2003000644-A1 PHOTOLABILE ESTERS AND THEIR USES THE INSTITUTE OF CANCER RESEARCH (GB) 2003-01-03 WO claimed
CN-107108796-B Polymer compound, surface treatment agent, laminate using surface treatment agent, transistor, and method for producing laminate 株式会社尼康 2019-10-01 CN disclosed
CN-107108796-A Polymer compound, surface treatment agent, laminate using surface treatment agent, transistor, and method for producing laminate 株式会社尼康 2017-08-29 CN disclosed