SCHEMBL6321963

SCHEMBL6321963

O=C(NC1CCCCCCCCCCC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
KCNH2 Q12809 1/20 0.65
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
AGTR1 P30556 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.58
GFER P55789 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
TP53 P04637 1/20 0.56

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
SCHEMBL29077532 0.93 KMT2A (0.61) POLBKCNH2NPC1RAB9AL3MBTL1
Dinitrophenylene SCHEMBL27647742 0.92 NPC1 (0.62) POLBKCNH2NPC1RAB9AAGTR1
Dinitrophenylene SCHEMBL27627506 0.90 KCNH2 (0.60) POLBKCNH2NPC1RAB9AAGTR1
SCHEMBL11493127 0.86 KMT2A (0.55) POLBKCNH2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28918576 0.86 KCNH2 (0.62) POLBKCNH2NPC1RAB9AAGTR1
SCHEMBL15272872 0.86 KDM1A (0.57) POLBKCNH2L3MBTL1KDM4EKMT2A
SCHEMBL3080624 0.85 L3MBTL1 (0.62) POLBKCNH2NPC1RAB9AL3MBTL1
SCHEMBL13139930 0.85 L3MBTL1 (0.58) POLBKCNH2NPC1RAB9AL3MBTL1
SCHEMBL12443197 0.85 L3MBTL1 (0.62) POLBKCNH2NPC1RAB9AL3MBTL1
SCHEMBL3125992 0.85 TP53 (0.68) POLBKCNH2NPC1RAB9AAGTR1

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
US-6858565-B2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2005-02-22 US disclosed
US-20030040434-A1 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2003-02-27 US disclosed
EP-1264707-A2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2002-12-11 EP disclosed