SCHEMBL16532916

SCHEMBL16532916

CCCn1c2cc(/C=C(\C#N)c3cccs3)sc2c2sc(/C=C(\C#N)c3cccs3)cc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ NPC1 O15118 8/20 0.35
▸ RAB9A P51151 7/20 0.35
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ SMN1; SMN2 Q16637 6/20 0.33
▸ MAPT P10636 5/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ GRK2 P25098 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
SCHEMBL18032706 0.87 RAB9A (0.39) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL16533058 0.86 ALDH1A1 (0.33) ALDH1A1NPC1RAB9ASMN1; SMN2EGFR
SCHEMBL16532970 0.81 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL16532884 0.81 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL16532910 0.78 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL18032708 0.76 RAB9A (0.35) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL16532964 0.76 RAB9A (0.43) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL16532873 0.75 MEN1 (0.52) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16532914 0.74 NPC1 (0.47) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL16532911 0.73 MAPT (0.31) ALDH1A1NPC1RAB9AMEN1KMT2A

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
EP-3036305-B1 COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS BASF SE (DE) 2019-04-17 — — EP disclosed
US-9917260-B2 Compounds with terminal heteroarylcyanovinylene groups and their use in organic solar cells BASF SE (DE) 2018-03-13 — — US disclosed
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
US-20160248021-A1 COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS BASF SE (DE) 2016-08-25 — — US disclosed
WO-2015024848-A1 COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS BASF SE (DE) 2015-02-26 — — WO disclosed
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