SCHEMBL22055760

SCHEMBL22055760

Cc1cccc(C)c1N(CC(=O)Nc1ccc(-c2ncon2)cc1)C(=O)C1CC[S+]([O-])CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPT P10636 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HCRTR1 O43613 3/20 0.32
▸ HCRTR2 O43614 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CEPT1 Q9Y6K0 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MCOLN3 Q8TDD5 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3892309 0.88 NPC1 (0.37) NPC1RAB9AMAPTMEN1KMT2A
Amenamevir SCHEMBL2238614 0.87 HDAC1 (0.37) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21769884 0.87 USP2 (0.36) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21769879 0.86 MAPT (0.38) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21769574 0.85 HCRTR1 (0.31) HCRTR1HCRTR2CYP3A4
SCHEMBL21769885 0.81 POLB (0.37) NPC1RAB9AMAPTSMN1; SMN2HCRTR1
SCHEMBL21769886 0.80 POLB (0.36) MAPTHCRTR1HCRTR2NPSR1
SCHEMBL21769571 0.80 SLC6A9 (0.36) MAPTNCOA3
SCHEMBL2239362 0.79 HDAC1 (0.38) NCOA3
SCHEMBL2242314 0.79 ALDH1A1 (0.38) MAPTMEN1KMT2ASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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