SCHEMBL27797488

SCHEMBL27797488

O=[N+]([O-])c1ccc(N2CCC=N2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
SIRT6 Q8N6T7 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ADRB1 P08588 1/20 0.47
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
AKR1C3 P42330 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL9244605 0.90 MAPT (0.51) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL27773961 0.81 MEN1 (0.50) MAPTPOLBALDH1A1LMNAMEN1
SCHEMBL9246435 0.79 SIRT6 (0.51) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL1080872 0.76 SIRT6 (0.51) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL27291390 0.72 TP53 (0.42) MAPTPOLBALDH1A1TP53LMNA
SCHEMBL15271381 0.71 SIRT6 (0.81) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL6151230 0.71 SIRT6 (0.81) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL2126575 0.70 MAPT (0.61) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL11373804 0.70 ABL1 (0.50) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL27762333 0.69 TP53 (0.47) MAPTPOLBALDH1A1TP53MEN1

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
CN-105037712-B Organic blue-fluorescent material and preparation method thereof 内江师范学院 2017-05-10 CN claimed
CN-105037712-B Organic blue-fluorescent material and preparation method thereof 内江师范学院 2017-05-10 CN disclosed
CN-101918491-B Composition and organic photoelectric conversion element SUMITOMO CO LTD 2012-06-20 CN disclosed
CN-101918491-A Composition and organic photoelectric conversion element SUMITOMO CHEMICAL CO 2010-12-15 CN disclosed