SCHEMBL12721817

SCHEMBL12721817

CC1=NN(c2ccccc2)C(=O)/C1=C\C=C1\N2CCCc3cccc(c32)C1(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 14/20 0.59
▸ MAPT P10636 12/20 0.59
▸ MAPK1 P28482 11/20 0.59
▸ MEN1 O00255 11/20 0.59
▸ L3MBTL1 Q9Y468 9/20 0.59
▸ ALDH1A1 P00352 8/20 0.59
▸ HTT P42858 7/20 0.59
▸ TDP1 Q9NUW8 6/20 0.59
▸ LMNA P02545 5/20 0.59
▸ GAA P10253 5/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ POLB P06746 2/20 0.44
▸ KDM4E B2RXH2 5/20 0.42
▸ PKM P14618 3/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ MDM2 Q00987 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GPR55 Q9Y2T6 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
SCHEMBL12721831 0.87 KMT2A (0.44) KMT2AMAPTMAPK1MEN1L3MBTL1
SCHEMBL12721853 0.87 ALDH1A1 (0.44) KMT2AMAPTMAPK1MEN1L3MBTL1
SCHEMBL13556370 0.84 ALDH1A1 (0.39) KMT2AMAPTMAPK1MEN1L3MBTL1
SCHEMBL12721837 0.83 ALDH1A1 (0.40) KMT2AMAPTMAPK1MEN1L3MBTL1
SCHEMBL1585026 0.80 CES1 (0.47) KMT2AMAPTMAPK1MEN1ALDH1A1
SCHEMBL12721306 0.80 CES1 (0.47) KMT2AMAPTMAPK1MEN1ALDH1A1
SCHEMBL1585025 0.80 CES1 (0.47) KMT2AMAPTMAPK1MEN1ALDH1A1
SCHEMBL12721838 0.78 MEN1 (0.36) KMT2AMAPTMAPK1MEN1L3MBTL1
SCHEMBL12721835 0.76 ALDH1A1 (0.39) KMT2AMAPTMAPK1MEN1L3MBTL1
SCHEMBL12721269 0.75 CES1 (0.42) KMT2AMAPTMAPK1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9368729-B2 Mixtures for producing photoactive layers for organic solar cells and organic photodetectors BASF SE (DE) 2016-06-14 — — US disclosed
US-9368729-B2 Mixtures for producing photoactive layers for organic solar cells and organic photodetectors BASF SE (DE) 2016-06-14 — — US disclosed
EP-2489084-B1 COMPOSITIONS FOR THE PRODUCTION OF PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTO DETECTORS BASF SE (DE) 2015-12-23 — — EP disclosed
US-20120267579-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2012-10-25 — — US disclosed
US-20120267579-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2012-10-25 — — US disclosed
WO-2011045253-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2011-04-21 — — WO disclosed
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