SCHEMBL6129305

SCHEMBL6129305

Nc1ccccc1N=Nc1ccccc1N=Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CCNT1 O60563 1/20 0.56
CCNB2 O95067 1/20 0.56
CCNE2 O96020 1/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNA2 P20248 1/20 0.56
CCND1 P24385 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56
CCNH P51946 1/20 0.56
CCNA1 P78396 1/20 0.56
CCNB3 Q8WWL7 1/20 0.56
PLAU P00749 1/20 0.54

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
SCHEMBL9006324 0.98 NPC1 (0.59) NPC1RAB9AGAAL3MBTL1CCNT1
SCHEMBL2003135 0.98 NPC1 (0.59) NPC1RAB9AGAAL3MBTL1CCNT1
SCHEMBL11858508 0.82 CCNT1 (0.64) NPC1RAB9AL3MBTL1CCNT1CCNB2
SCHEMBL6575341 0.80 NPC1 (0.54) NPC1RAB9AL3MBTL1CCNT1CCNB2
SCHEMBL6575346 0.80 NPC1 (0.54) NPC1RAB9AL3MBTL1CCNT1CCNB2
SCHEMBL11456229 0.79 CCNT1 (0.54) NPC1RAB9AL3MBTL1CCNT1CCNB2
SCHEMBL11456230 0.79 CCNT1 (0.54) NPC1RAB9AL3MBTL1CCNT1CCNB2
SCHEMBL9658763 0.79 CCNT1 (0.54) NPC1RAB9AGAAL3MBTL1CCNT1
SCHEMBL9658765 0.79 CCNT1 (0.54) NPC1RAB9AGAAL3MBTL1CCNT1
SCHEMBL1263553 0.78 PLAU (0.53) NPC1RAB9AL3MBTL1CCNT1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864347-B2 Nonlinear optical chiral compounds and devices incorporating same KVH INDUSTRIES, INC. (US) 2005-03-08 US disclosed
US-20030161605-A1 Nonlinear optical chiral compounds and devices incorporating same KVH INDUSTRIES, INC. 2003-08-28 US disclosed
WO-2003003112-A1 NONLINEAR OPTICAL CHIRAL COMPOUNDS AND DEVICES INCORPORATING SAME KVH INDUSTRIES, INC. (US) 2003-01-09 WO disclosed
US-6288206-B1 MIXED WITH DYE; HEAT RESISTANCE, STABILITY; ELECTROOPTICS; MOLECULAR OPTOELECTRONICS CORPORATION 2001-09-11 US disclosed
WO-2000054103-A1 CHIRAL POLYMER COMPOSITIONS EXHIBITING NONLINEAR OPTICAL PROPERTIES MOLECULAR OPTOELECTRONICS CORPORATION (US) 2000-09-14 WO disclosed