SCHEMBL18032698

SCHEMBL18032698

CN1C(=O)/C(=C2/C(=O)N(C)c3cc(-c4ccc(-c5cccs5)s4)ccc32)c2ccc(-c3ccc(-c4cccs4)s3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.42
▸ PRF1 P14222 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SLC6A11 P48066 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ GABRA1 P14867 2/20 0.36
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ GABRA3 P34903 2/20 0.36
▸ GABRA2 P47869 2/20 0.36

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
SCHEMBL13058811 0.90 SLC6A11 (0.44) SLC6A11HDAC1HDAC2GABRA1GABRG2
SCHEMBL18699207 0.83 CHEK1 (0.35) SLC6A11HDAC1HDAC2GABRA1GABRG2
SCHEMBL13058817 0.82 CDC25A (0.41) PRF1KDM4EALDH1A1LMNAGAA
SCHEMBL18032705 0.78 MAPT (0.36) DPP4PRF1ALDH1A1MAPTEGFR
SCHEMBL17657416 0.78 PGR (0.39) PRF1ALDH1A1MAPTHDAC1HDAC2
SCHEMBL17657441 0.76 PGR (0.37) PRF1HDAC1HDAC2DRD2DRD3
SCHEMBL12725123 0.76 DPP4 (0.50) DPP4KDM4EALDH1A1LMNAGLA
SCHEMBL12725117 0.76 DPP4 (0.50) DPP4KDM4EALDH1A1LMNAGLA
SCHEMBL18032704 0.75 MAPT (0.37) PRF1KDM4EALDH1A1MAPTNPC1
SCHEMBL17657410 0.75 PGR (0.40) PRF1ALDH1A1MAPTNPC1RAB9A

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-9917260-B2 Compounds with terminal heteroarylcyanovinylene groups and their use in organic solar cells BASF SE (DE) 2018-03-13 — — US disclosed
US-20160248021-A1 COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS BASF SE (DE) 2016-08-25 — — US disclosed
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