SCHEMBL13388577

SCHEMBL13388577

CCC1(C)/C(=C\C=C2\C(=O)c3ccccc3C2=C(C#N)C#N)N2CCc3cccc1c32

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ MAP2K1 Q02750 1/20 0.34
▸ HTT P42858 2/20 0.32
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ USP2 O75604 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 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 1.00 KMT2A (0.35) KMT2AMAP2K1HTTMAPTALDH1A1
SCHEMBL12722080 1.00 KMT2A (0.35) KMT2AMAP2K1HTTMAPTALDH1A1
SCHEMBL1585045 0.95 ALDH1A1 (0.36) KMT2AMAP2K1HTTMAPTALDH1A1
SCHEMBL1585159 0.89 KMT2A (0.37) KMT2AMAP2K1HTTMAPTALDH1A1
SCHEMBL12722079 0.89 KMT2A (0.37) KMT2AMAP2K1HTTMAPTALDH1A1
SCHEMBL13388892 0.89 KMT2A (0.37) KMT2AMAP2K1HTTMAPTALDH1A1
SCHEMBL12722216 0.89 KMT2A (0.37) KMT2AMAP2K1HTTMAPTALDH1A1
SCHEMBL13388161 0.84 CES1 (0.38) KMT2AMAP2K1HTTMAPTALDH1A1
SCHEMBL13388162 0.84 CES1 (0.38) KMT2AMAP2K1HTTMAPTALDH1A1
SCHEMBL12722217 0.84 CES1 (0.38) KMT2AMAP2K1HTTMAPTALDH1A1

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 2 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-20120267579-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2012-10-25 — — US disclosed
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