SCHEMBL4761990

SCHEMBL4761990

Cn1c(=O)c(-c2ccc(Cl)cc2)cc2c3cc(-c4csc(OC(=O)C(C)(C)C)n4)ccc3n(C)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ EIF4E P06730 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ CNR1 P21554 5/20 0.33
▸ CNR2 P34972 5/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL1339112 0.86 RAB9A (0.61) NPC1RAB9ATDP1L3MBTL1MAPT
SCHEMBL1340004 0.81 LTA4H (0.43) NPC1RAB9AMAPTKDM4EGAA
SCHEMBL1339304 0.81 PTGS2 (0.39) NPC1RAB9ATDP1L3MBTL1MAPT
SCHEMBL1336992 0.78 RAB9A (0.55) NPC1RAB9ATDP1L3MBTL1MAPT
SCHEMBL1338029 0.78 GABRA1 (0.41) NPC1RAB9ATDP1L3MBTL1MAPT
SCHEMBL1338126 0.77 L3MBTL1 (0.61) NPC1RAB9ATDP1L3MBTL1MAPT
SCHEMBL1339111 0.76 RAB9A (0.44) NPC1RAB9ATDP1L3MBTL1MAPT
SCHEMBL1339176 0.76 EIF4E (0.39) NPC1RAB9AMAPTKDM4EGAA
SCHEMBL1339161 0.74 EIF4E (0.39) NPC1RAB9AKDM4EGAAGABRA1
SCHEMBL1339284 0.74 EIF4E (0.37) NPC1RAB9AKDM4EGAAGABRA1

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-1940840-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 — — EP disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 — — WO disclosed
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