SCHEMBL21769731

SCHEMBL21769731

Cc1cccc(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CCSCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ IMPDH2 P12268 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
SCHEMBL21769874 0.92 MAPT (0.38) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL17923455 0.90 MAPT (0.37) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL21769730 0.89 HDAC1 (0.42) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL21769573 0.88 POLB (0.39) KMT2AALDH1A1MEN1NPC1MAPT
SCHEMBL17923449 0.88 SMN1; SMN2 (0.36) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL3892309 0.87 NPC1 (0.37) KMT2AKDM4EMEN1NPC1MAPT
SCHEMBL21769885 0.87 POLB (0.37) ALDH1A1KDM4ENPC1MAPTHPGD
SCHEMBL21769854 0.87 KMT2A (0.39) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL21769740 0.87 L3MBTL1 (0.33) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL17923453 0.87 MAPT (0.35) KMT2AALDH1A1MEN1MAPTTSHR

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-2020038812-A1 NEW PROCESS FOR THE PREPARATION OF AMENAMEVIR RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-02-27 — — WO disclosed
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