SCHEMBL7769269

SCHEMBL7769269

[NH]C(=S)CCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.57
HDAC3 O15379 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC5 Q9UQL6 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
SLC6A3 Q01959 1/20 0.57
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52

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
SCHEMBL7773710 0.94 MAPT (0.57) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7771090 0.92 MAPT (0.60) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7771027 0.92 MAPT (0.60) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7765704 0.86 KEAP1 (0.54) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7247766 0.82 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL11536514 0.78 HDAC1 (0.57) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL1170624 0.78 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL11260596 0.78 HDAC1 (0.57) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL3888304 0.78 HDAC1 (0.57) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL11291090 0.78 CA12 (0.53) HDAC1HDAC3HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed