SCHEMBL12721837

SCHEMBL12721837

Cc1ccc(N2N=C(C(F)(F)F)/C(=C/C=C3/N4CCCc5cccc(c54)C3(C)C)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ERO1A Q96HE7 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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 0.94 KMT2A (0.44) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL12721838 0.91 MEN1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL12721835 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL12721817 0.83 KMT2A (0.59) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL12721853 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL12217098 0.76 MAPT (0.68) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL12721878 0.75 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL13556370 0.75 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL1585026 0.74 CES1 (0.47) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL12721306 0.74 CES1 (0.47) ALDH1A1MEN1KMT2AMAPTMAPK1

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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