SCHEMBL7409085

SCHEMBL7409085

COc1ccc(COC(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIN2B Q13224 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ELANE P08246 1/20 0.39

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
SCHEMBL7409272 0.81 MEN1 (0.46) MEN1KMT2ARAB9A
SCHEMBL7409091 0.74 MEN1 (0.46) MEN1KMT2AGRIN2BNPC1RAB9A
SCHEMBL7407388 0.71 ELANE (0.43) GRIN2BELANE
SCHEMBL7413306 0.70
SCHEMBL7411308 0.70 NPC1 (0.41) NPC1
SCHEMBL7875386 0.67 NPSR1 (0.53) MEN1KMT2AGRIN2BNPC1RAB9A
SCHEMBL6230666 0.66 ALDH1A1 (0.52) MEN1KMT2AGRIN2B
SCHEMBL7401667 0.66 ELANE (0.58) ELANE
SCHEMBL7511361 0.66 ELANE (0.60) ELANE
SCHEMBL7511367 0.66 ELANE (0.60) ELANE

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-0973775-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-26 EP disclosed
WO-1998043975-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-10-08 WO disclosed