SCHEMBL12721853

SCHEMBL12721853

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ MAPT P10636 6/20 0.44
▸ HTT P42858 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CES1 P23141 2/20 0.38
▸ MAP2K1 Q02750 1/20 0.36
▸ USP2 O75604 4/20 0.34
▸ POLB P06746 2/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL12721817 0.87 KMT2A (0.59) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL12721835 0.86 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1585026 0.81 CES1 (0.47) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1585025 0.81 CES1 (0.47) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL12721306 0.81 CES1 (0.47) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL13556370 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL12721266 0.79 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL17350429 0.79 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1585712 0.79 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL12721825 0.79 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTHTT

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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