SCHEMBL11058656

SCHEMBL11058656

N#C[CH]c1csc(Cc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC8 Q9BY41 1/20 0.44
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 3/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.36
ECE1 P42892 1/20 0.36
LTA4H P09960 1/20 0.36
ENPP2 Q13822 1/20 0.35
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.33
CD74 P04233 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
SCHEMBL10916542 0.80 HDAC1 (0.53) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL15641081 0.76 HDAC1 (0.48) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL28759152 0.71 HDAC1 (0.59) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL10918974 0.70 HDAC1 (0.46) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL11052563 0.69 HDAC1 (0.51) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL6848047 0.69 ALDH1A1 (0.61) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL2583325 0.69 HDAC1 (0.51) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL2056290 0.69 HDAC1 (0.51) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL8432354 0.69 HDAC1 (0.51) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL6123166 0.69 HDAC1 (0.55) HDAC1HDAC6HDAC8ALDH1A1RAB9A

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-4450169-A PESTICIDES; NEMATOCIDES; FUNGICIDES; MITICIDES; REPELLANTS ROUSSEL UCLAF (FR) 1984-05-22 US disclosed