SCHEMBL7706403

SCHEMBL7706403

CSc1ncccc1C(=O)C(C(=O)O)C(=O)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
KMT2A Q03164 6/20 0.46
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 1/20 0.42
SLC6A9 P48067 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7816355 0.83 RAB9A (0.44) RAB9AKMT2ACASP3SENP8SENP7
SCHEMBL9116917 0.80 RAB9A (0.47) RAB9AKMT2ACASP3SENP8SENP7
SCHEMBL13423085 0.74 KMT2A (0.54) RAB9AKMT2ACASP3SENP8SENP7
SCHEMBL355357 0.72 ALDH1A1 (0.59) RAB9AKMT2ACASP3SENP8SENP7
SCHEMBL7708463 0.72 RAB9A (0.55) RAB9AKMT2ACASP3SENP8SENP7
Hydrochloric Acid SCHEMBL1375604 0.71 ALDH1A1 (0.62) RAB9AKMT2ACASP3SENP8SENP7
SCHEMBL7706404 0.69 RAB9A (0.52) RAB9AKMT2ACASP3SENP8SENP7
SCHEMBL8284968 0.69 KMT2A (0.62) RAB9AKMT2ACASP3SENP8SENP7
SCHEMBL13623626 0.68 L3MBTL1 (0.55) RAB9AKMT2ACASP3SENP8SENP7
SCHEMBL1327237 0.68 KMT2A (0.56) RAB9AKMT2ACASP3SENP8SENP7

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
EP-0588357-B1 Isoxazoles derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-06-12 EP disclosed
EP-0588357-A1 Isoxazoles derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-03-23 EP disclosed