SCHEMBL7409273

SCHEMBL7409273

COc1ccc(COC(=O)N2CC[C@H]3C2=C(C)C(=O)N3c2nc3ccccc3s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 4/20 0.45
USP2 O75604 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
P2RX3 P56373 1/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
DUSP3 P51452 1/20 0.39
NPC1 O15118 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 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
SCHEMBL7409091 0.81 MEN1 (0.46) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL7409272 0.76 MEN1 (0.46) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL8185391 0.72 RAB9A (0.43) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL7407393 0.68 GRIN2B (0.42) PKMGRIN2BP2RX4
SCHEMBL7511371 0.66 NPC1 (0.43) RAB9ANPC1L3MBTL1
SCHEMBL10489919 0.65 KDM4E (0.44) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL12542456 0.64 RXFP1 (0.68) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL10117986 0.63 P2RX3 (0.55) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL6624123 0.63 F2 (0.46) RAB9AMAPK1GAANPC1NPSR1
SCHEMBL11885515 0.62 MAP3K5 (0.57) MAPTMEN1KMT2ALMNAPOLB

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-1015454-A1 METHOD OF INHIBITING SERINE PROTEASE ENZYMES GLAXO GROUP LIMITED (GB) 2000-07-05 EP disclosed
WO-2000018770-A1 PYRROLOPYRROLONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXO GROUP LIMITED (GB) 2000-04-06 WO disclosed
EP-0973775-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-26 EP disclosed
WO-1999012932-A1 METHOD OF INHIBITING SERINE PROTEASE ENZYMES GLAXO GROUP LIMITED (GB) 1999-03-18 WO disclosed
WO-1998043975-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-10-08 WO disclosed