SCHEMBL7409091

SCHEMBL7409091

COc1ccc(COC(=O)N2CC[C@H]3C2=C(C)C(=O)N3c2nccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GRIN2B Q13224 3/20 0.42
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
AHR P35869 1/20 0.36
HSD17B10 Q99714 1/20 0.35
KCNA5 P22460 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL7409273 0.81 MAPT (0.45) MEN1KMT2AGRIN2BNPC1RAB9A
SCHEMBL7409085 0.74 MEN1 (0.44) MEN1KMT2AGRIN2BNPC1RAB9A
SCHEMBL7407393 0.70 GRIN2B (0.42) GRIN2BHSD17B10
SCHEMBL7511371 0.64 NPC1 (0.43) NPC1RAB9A
SCHEMBL12540479 0.63 MEN1 (1.00) MEN1KMT2ATP53MDM2MAPT
SCHEMBL3047836 0.63 GRIN2B (0.54) MEN1KMT2AGRIN2BNPC1RAB9A
SCHEMBL21495082 0.61 RAB9A (0.63) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL10017802 0.61 GRIN2B (0.48) GRIN2BNPC1RAB9AMAPTALDH1A1
SCHEMBL5178153 0.61 ME2 (0.61) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6624123 0.61 F2 (0.46) NPC1RAB9A

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