SCHEMBL9867238

SCHEMBL9867238

C#CCn1c(C(F)(F)F)c(C(=O)OCC)sc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 6/20 0.36
KDM4E B2RXH2 5/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 4/20 0.36
HSP90AA1 P07900 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ALDH1A1 P00352 9/20 0.34
CYP1A2 P05177 3/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 3/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MC4R P32245 1/20 0.34

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
SCHEMBL9522954 0.81
SCHEMBL9866650 0.80 POLB (0.52) HDAC3HDAC4HDAC1HDAC6KMT2A
SCHEMBL9868262 0.79 CNR2 (0.48) HDAC3HDAC4HDAC1HDAC6KMT2A
SCHEMBL9865421 0.74 HDAC4 (0.35) HDAC3HDAC4HDAC1HDAC6KMT2A
SCHEMBL9521099 0.74
SCHEMBL9519761 0.70
SCHEMBL9519752 0.70
SCHEMBL9520847 0.70
SCHEMBL10560157 0.68 KDM4E (0.42) HDAC3HDAC4HDAC1HDAC6KDM4E
SCHEMBL10561976 0.68 TSHR (0.41) HDAC3HDAC4HDAC1HDAC6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5008281-A Insecticides, miticides, nematocides ROUSSEL UCLAF (FR) 1991-04-16 US disclosed
US-4925862-A PESTICIDES ROUSSEL UCLAF (FR) 1990-05-15 US disclosed