SCHEMBL12722216

SCHEMBL12722216

CC1(C)/C(=C/C=C2\C(=O)c3ccccc3C2=C(C#N)C#N)N2CCc3cccc1c32

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.37
▸ MEN1 O00255 6/20 0.36
▸ MAPT P10636 5/20 0.36
▸ USP2 O75604 4/20 0.36
▸ HTT P42858 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL13388892 1.00 KMT2A (0.37) KMT2AMEN1MAPTUSP2HTT
SCHEMBL12722079 1.00 KMT2A (0.37) KMT2AMEN1MAPTUSP2HTT
SCHEMBL1585159 1.00 KMT2A (0.37) KMT2AMEN1MAPTUSP2HTT
SCHEMBL12722217 0.94 CES1 (0.38) KMT2AMEN1MAPTUSP2HTT
SCHEMBL30521120 0.94 CES1 (0.38) KMT2AMEN1MAPTUSP2HTT
SCHEMBL13388162 0.94 CES1 (0.38) KMT2AMEN1MAPTUSP2HTT
SCHEMBL13388161 0.94 CES1 (0.38) KMT2AMEN1MAPTUSP2HTT
SCHEMBL17023944 0.94 CES1 (0.38) KMT2AMEN1MAPTUSP2HTT
SCHEMBL13388577 0.89 KMT2A (0.35) KMT2AMEN1MAPTUSP2HTT
SCHEMBL13388578 0.89 KMT2A (0.35) KMT2AMEN1MAPTUSP2HTT

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
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
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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