SCHEMBL3892309

SCHEMBL3892309

Cc1cccc(C)c1N(CC(=O)Nc1ccc(-c2ncon2)cc1)C(=O)C1CCSCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CEPT1 Q9Y6K0 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ KDR P35968 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HCRTR1 O43613 2/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL21769885 0.93 POLB (0.37) NPC1RAB9AADORA2AADORA1MAPT
SCHEMBL21769571 0.91 SLC6A9 (0.36) NCOA3MAPT
SCHEMBL21769566 0.90 KMT2A (0.37) NPC1RAB9AADORA2AADORA1MAPT
Amenamevir SCHEMBL2238614 0.89 HDAC1 (0.37) NPC1RAB9AADORA2AADORA1MAPT
SCHEMBL22055760 0.88 NPC1 (0.36) NPC1RAB9AADORA2AADORA1NCOA3
SCHEMBL21769731 0.87 KMT2A (0.40) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL17923455 0.87 MAPT (0.37) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21769874 0.86 MAPT (0.38) NPC1RAB9AADORA2AADORA1MAPT
SCHEMBL21769853 0.85 POLB (0.38) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21769573 0.85 POLB (0.39) NPC1RAB9AMAPTMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2263671-B1 AMIDE DERIVATIVE-CONTAINING PHARMACEUTICAL COMPOSITION ASTELLAS PHARMA INC (JP) 2016-07-20 — — EP claimed
WO-2020109389-A1 HELICASE PRIMASE INHIBITORS FOR TREATING CANCER IN A COMBINATION THERAPY WITH ONCOLYTIC VIRUSES INNOVATIVE MOLECULES GMBH (DE) 2020-06-04 — — WO disclosed
WO-2020038812-A1 NEW PROCESS FOR THE PREPARATION OF AMENAMEVIR RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-02-27 — — WO disclosed
WO-2009123169-A1 AMIDE DERIVATIVE-CONTAINING PHARMACEUTICAL COMPOSITION アステラス製薬株式会社 (JP) 2009-10-08 — — WO disclosed
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