SCHEMBL7708463

SCHEMBL7708463

CSc1ncccc1C(=O)CC(=O)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
KMT2A Q03164 7/20 0.51
MEN1 O00255 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.48
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL7706404 0.85 RAB9A (0.52) RAB9AKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL13623626 0.81 L3MBTL1 (0.55) RAB9AKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL8328384 0.75 HDAC6 (0.45) KMT2AMEN1ALDH1A1
SCHEMBL31339222 0.73 KMT2A (0.64) RAB9AKMT2AMEN1HPGD
SCHEMBL7706403 0.72 RAB9A (0.49) RAB9AKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL8284968 0.72 KMT2A (0.62) RAB9AKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL355357 0.72 ALDH1A1 (0.59) RAB9AKMT2AL3MBTL1ALDH1A1CASP3
SCHEMBL8726663 0.71 HPGD (0.38) RAB9AKMT2AALDH1A1HPGDTSHR
SCHEMBL9314355 0.71 KMT2A (0.66) RAB9AKMT2AMEN1HPGD
SCHEMBL3717527 0.71 KMT2A (0.72) RAB9AKMT2AMEN1L3MBTL1ALDH1A1

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 5 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-1156048-A1 Heteroaroyl-isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 2001-11-21 EP disclosed
US-5480857-A Herbicidal 4-heteroaroylisoxazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-01-02 US disclosed
WO-1995025099-A1 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-09-21 WO disclosed
EP-0588357-A1 Isoxazoles derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-03-23 EP disclosed