SCHEMBL21363354

SCHEMBL21363354

O=C(CCCCCCCCCCSSCCCCCCCCCCC(=O)ON1C(=O)CCC1=O)Nc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36

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
SCHEMBL21363351 0.85 FAAH (0.38) ALDH1A1MAPTKDM4EGAAHTT
Aminopyrene SCHEMBL23831545 0.78 KMT2A (0.38) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL21363738 0.77 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EGAAHTT
SCHEMBL3491065 0.77 KMT2A (0.54) ALDH1A1KDM4EHPGDHTTKMT2A
SCHEMBL4399520 0.76 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL21363524 0.76 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL19328246 0.75 KMT2A (0.55) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL19611483 0.75 SMN1; SMN2 (0.37) ALDH1A1HPGDGAAHTTLMNA
SCHEMBL2772797 0.75 SMN1; SMN2 (0.37) ALDH1A1HPGDGAAHTTLMNA
SCHEMBL2316237 0.75 SMN1; SMN2 (0.37) ALDH1A1HPGDGAAHTTLMNA

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