SCHEMBL17852176

SCHEMBL17852176

c1ccc(-c2cc[n+](CCCCO[n+]3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA7 P36544 4/20 0.41
CHRNA10 Q9GZZ6 4/20 0.41
CHRNA9 Q9UGM1 4/20 0.41
BCHE P06276 5/20 0.39
ACHE P22303 5/20 0.39

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
SCHEMBL12039038 0.91 SLC22A2 (0.43) NPC1LMNARAB9A
SCHEMBL4567080 0.87 SLC22A2 (0.43) NPC1LMNARAB9ACHRNA7CHRNA10
SCHEMBL13222280 0.82 SLC22A2 (0.46) CYP1A2KDM4ELMNARAB9A
SCHEMBL12038847 0.81 MEN1 (0.47) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL10619644 0.80 MEN1 (0.50) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL13078186 0.80 HDAC3 (0.40) NPC1LMNARAB9A
SCHEMBL12917525 0.80 LTA4H (0.43) MEN1TP53CYP1A2CYP2D6MAPT
Water SCHEMBL30259683 0.78 MEN1 (0.61) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL14198560 0.77 SLC22A2 (0.46) MEN1TP53MAPTKMT2ALMNA
SCHEMBL13043202 0.74 SLC22A2 (0.46) CYP1A2KDM4ELMNARAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160177453-A1 METHOD OF PHOTOPOLYMERIZING OF ACRYLATES QUALEX INC. 2016-06-23 US disclosed