SCHEMBL1585045

SCHEMBL1585045

CCC1(C)C(=CC=C2C(=O)c3ccccc3C2=C(C#N)C#N)N2CCCc3cccc1c32

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CES1 P23141 2/20 0.36
▸ KMT2A Q03164 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ HTT P42858 1/20 0.31
▸ MAPT P10636 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
SCHEMBL13388578 0.95 KMT2A (0.35) ALDH1A1USP2KMT2AMAP2K1HTT
SCHEMBL12722080 0.95 KMT2A (0.35) ALDH1A1USP2KMT2AMAP2K1HTT
SCHEMBL13388577 0.95 KMT2A (0.35) ALDH1A1USP2KMT2AMAP2K1HTT
SCHEMBL17023944 0.89 CES1 (0.38) ALDH1A1USP2CES1KMT2AGAA
SCHEMBL13388161 0.89 CES1 (0.38) ALDH1A1USP2CES1KMT2AGAA
SCHEMBL12722217 0.89 CES1 (0.38) ALDH1A1USP2CES1KMT2AGAA
SCHEMBL13388162 0.89 CES1 (0.38) ALDH1A1USP2CES1KMT2AGAA
SCHEMBL30521120 0.89 CES1 (0.38) ALDH1A1USP2CES1KMT2AGAA
SCHEMBL1585159 0.84 KMT2A (0.37) ALDH1A1USP2CES1KMT2AGAA
SCHEMBL13388892 0.84 KMT2A (0.37) ALDH1A1USP2CES1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2489084-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2012-08-22 — — EP 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