SCHEMBL12721889

SCHEMBL12721889

CCCCN1C(=O)C(C#N)=C(C(F)(F)F)/C(=C/C=C2/N3CCCc4cccc(c43)C2(C)C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 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
SCHEMBL12721877 0.90 USP2 (0.31) ALDH1A1USP2
SCHEMBL13556353 0.89 ALDH1A1 (0.37) ALDH1A1MEN1GLAMAPTHTT
SCHEMBL1585141 0.89 ALDH1A1 (0.37) ALDH1A1MEN1GLAMAPTHTT
SCHEMBL1585140 0.89 ALDH1A1 (0.37) ALDH1A1MEN1GLAMAPTHTT
SCHEMBL12721457 0.89 ALDH1A1 (0.37) ALDH1A1MEN1GLAMAPTHTT
SCHEMBL12721881 0.89 ALDH1A1 (0.36) ALDH1A1MEN1MAPTKMT2AUSP2
SCHEMBL12721459 0.89 ALDH1A1 (0.36) ALDH1A1MEN1MAPTKMT2AUSP2
SCHEMBL12721890 0.88 ALDH1A1 (0.36) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL13556354 0.86 ALDH1A1 (0.34) ALDH1A1MEN1GLAMAPTHTT
SCHEMBL13388899 0.84 MEN1 (0.36) ALDH1A1MEN1GLAMAPTHTT

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 5 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
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
Send feedback