SCHEMBL11642149

SCHEMBL11642149

CCCCNc1[c]ccc(N(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TLR8 Q9NR97 3/20 0.34
DNM2 P50570 3/20 0.33
TLR7 Q9NYK1 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
ALDH1A1 P00352 2/20 0.33
APAF1 O14727 1/20 0.33
APP P05067 1/20 0.31
CYP1A2 P05177 3/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 2/20 0.31
MAOA P21397 1/20 0.31
CNR1 P21554 1/20 0.31
DRD4 P21917 1/20 0.31
ACHE P22303 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 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
SCHEMBL11440233 0.79 ABL1 (0.33) DNM2
SCHEMBL8173364 0.71 PRSS1 (0.43)
SCHEMBL2328585 0.70 ALDH1A1 (0.40) HDAC3HDAC1HDAC2HDAC8TLR8
SCHEMBL10891163 0.69 KDM4A (0.35) HDAC11ALDH1A1LMNAACHEHTR2A
SCHEMBL10889535 0.69 KDM4A (0.35) HDAC11ALDH1A1LMNAACHEHTR2A
SCHEMBL3285417 0.69 RIPK1 (0.39) HDAC3HDAC1HDAC2TLR8TLR7
SCHEMBL1419583 0.67 CALM1 (0.33) ALDH1A1APPMAPK1CYP3A4
SCHEMBL5783604 0.67 MAPT (0.44) ALDH1A1LMNAACHEKDM4ERAB9A
SCHEMBL11644681 0.67 NR5A1 (0.37) TLR8ALDH1A1LMNABLMPTGES
SCHEMBL1414746 0.66 KCNH3 (0.42) ALDH1A1LMNASIGMAR1KDM4ERAB9A

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
US-4119776-A Vinyl phthalide color formers NCR CORPORATION (US) 1978-10-10 US disclosed
US-4026883-A MACHINE READABLE AND COPIABLE NCR CORPORATION (US) 1977-05-31 US disclosed
US-4016174-A USED IN PRESSURE SENSITIVE RECORD MATERIALS AND MANIFOLD MARKING SYSTEMS NCR CORPORATION (US) 1977-04-05 US disclosed