SCHEMBL21363334

SCHEMBL21363334

O=C(CCCCCCCSSCCCCCCCC(=O)NCc1ccc2ccc3cccc4ccc1c2c34)NCCN1C(=O)C=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 8/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
ITPR1 Q14643 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HDAC3 O15379 1/20 0.36
LTA4H P09960 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 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
SCHEMBL21363550 0.94 KDM4E (0.46) KDM4EALDH1A1GAAHTTL3MBTL1
SCHEMBL21363524 0.87 ALDH1A1 (0.42) KDM4EALDH1A1GAAHTTL3MBTL1
SCHEMBL31713799 0.80 MEN1 (0.53) KDM4EALDH1A1GAAHTTITPR1
SCHEMBL21363351 0.78 FAAH (0.38) KDM4EALDH1A1GAAHTTL3MBTL1
SCHEMBL15743781 0.75 TSHR (0.48) KDM4EALDH1A1GAAHTTL3MBTL1
SCHEMBL14940077 0.74 KMT2A (0.67) KDM4EALDH1A1GAAITPR1MEN1
SCHEMBL21615671 0.73 EPHX2 (0.51) HTTMEN1KMT2AFAAHSMN1; SMN2
SCHEMBL21363521 0.73 HDAC1 (0.41) KDM4EALDH1A1HTTITPR1MEN1
SCHEMBL28136252 0.73 KMT2A (0.53) KDM4EALDH1A1GAAITPR1MEN1
SCHEMBL16192994 0.71 KMT2A (0.66) KDM4EALDH1A1ITPR1MEN1KMT2A

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