SCHEMBL13400501

SCHEMBL13400501

CCCCCC#Cc1cccc(NC(=O)c2cc(C)cc(C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 2/20 0.46
▸ KCNK9 Q9NPC2 2/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ NR1H4 Q96RI1 3/20 0.46
▸ THRB P10828 2/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ UBA2 Q9UBT2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KDR P35968 3/20 0.42
▸ PDGFRB P09619 2/20 0.42

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
SCHEMBL13022965 0.89 NR1H4 (0.44) NR1H4THRBMEN1KMT2AMAPT
SCHEMBL13023081 0.89 THRB (0.45) NR1H4THRBMEN1KMT2AMAPT
SCHEMBL13400527 0.81 ALDH1A1 (0.41) KCNH2MEN1KMT2AMAPTSAE1
SCHEMBL13023135 0.81 IKBKB (0.45) NR1H4THRBMEN1KMT2ARXFP1
SCHEMBL13132713 0.77 MAPT (0.48) NR1H4MAPTSAE1UBA2ALDH1A1
SCHEMBL13132553 0.77 MAPT (0.48) NR1H4MAPTSAE1UBA2ALDH1A1
SCHEMBL13400497 0.76 KCNK3 (0.56) KCNK3KCNK9KCNH2THRBMEN1
SCHEMBL13400502 0.76 KCNK3 (0.50) KCNK3KCNK9KCNH2THRBMEN1
SCHEMBL13132557 0.74 RAB9A (0.48) NR1H4MEN1KMT2APOLBMAPT
SCHEMBL3682284 0.74 KCNH2 (0.49) KCNH2MAPTSAE1UBA2

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-20100079705-A1 SUBSTRATE FOR LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-04-01 — — US disclosed
US-20100079705-A1 SUBSTRATE FOR LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-04-01 — — US disclosed
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