SCHEMBL21363741

SCHEMBL21363741

NCCCCCCCCCCCSC1CC(=O)N(c2ccc3ccc4cccc5ccc2c3c45)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 10/20 0.39
TDP1 Q9NUW8 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
DDAH1 O94760 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33

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
SCHEMBL21363352 1.00 POLB (0.40) POLBALDH1A1TDP1NPC1RAB9A
SCHEMBL21299344 0.90 NPC1 (0.32) POLBALDH1A1TDP1NPC1RAB9A
SCHEMBL21363738 0.73 ALDH1A1 (0.33) POLBALDH1A1TDP1NPC1RAB9A
SCHEMBL9151931 0.71 DDAH1 (0.41) DDAH1
SCHEMBL21363332 0.71 TDP1 (0.46) TDP1PKM
SCHEMBL21363549 0.71 TDP1 (0.46) TDP1PKM
SCHEMBL718047 0.67 ALDH1A1 (0.43) POLBALDH1A1TDP1TP53KDM4E
SCHEMBL3263559 0.66 ALDH1A1 (0.45) POLBALDH1A1TDP1TP53KDM4E
SCHEMBL3281917 0.65 PKM (0.47) POLBALDH1A1TDP1NPC1RAB9A
SCHEMBL29634180 0.62 TLR9 (0.47) ALDH1A1TDP1KDM4EMAPTKMT2A

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-20190285576-A1 SEMICONDUCTOR SENSOR, METHOD FOR PRODUCING THE SAME, AND COMBINED SENSOR TORAY INDUSTRIES, INC. (JP) 2019-09-19 US disclosed