SCHEMBL6239668

SCHEMBL6239668

Cc1ccc([S])c(C(=O)NN)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
CTSD P07339 1/20 0.43
HDAC7 Q8WUI4 1/20 0.42
P2RX7 Q99572 2/20 0.42
ALDH1A1 P00352 3/20 0.42
GFER P55789 1/20 0.42
GAA P10253 2/20 0.41
CSNK2A1 P68400 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
NCOA1 Q15788 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL10562342 0.82 ALDH1A1 (0.50) KDM4EMAPTCTSDHDAC7P2RX7
SCHEMBL31645320 0.81 F2R (0.52) KDM4EMAPTCTSDHDAC7P2RX7
SCHEMBL13407497 0.81 SMN1; SMN2 (0.55) KDM4EMAPTCTSDP2RX7ALDH1A1
SCHEMBL29627992 0.81 SMN1; SMN2 (0.55) KDM4EMAPTCTSDP2RX7ALDH1A1
SCHEMBL1637434 0.79 CSNK2A1 (0.60) KDM4EMAPTALDH1A1GFERGAA
SCHEMBL20018152 0.78 ALDH1A1 (0.68) KDM4EMAPTCTSDP2RX7ALDH1A1
SCHEMBL1544112 0.78 KAT6A (0.47) KDM4EMAPTCTSDP2RX7ALDH1A1
SCHEMBL15047177 0.78 LOXL2 (0.55) KDM4EMAPTCTSDHDAC7P2RX7
SCHEMBL5504399 0.77 SMN1; SMN2 (0.58) KDM4EMAPTCTSDALDH1A1GFER
Hydrochloric Acid SCHEMBL19547889 0.76 SMN1; SMN2 (0.57) KDM4EMAPTALDH1A1GFERMEN1

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
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP claimed