SCHEMBL21769890

SCHEMBL21769890

Cc1cccc(C)c1N(CC=O)C(=O)C1CCS(=O)(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.36
▸ SCN4A P35499 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC8 Q9BY41 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC5 Q9UQL6 3/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NR1I2 O75469 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ KLF5 Q13887 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 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
SCHEMBL2815306 0.84 HTT (0.39) HTTSCN4AGLASMN1; SMN2P2RX7
SCHEMBL28459274 0.80 GAA (0.36) HTTALDH1A1OPRM1KLF5MAPT
SCHEMBL3724771 0.74 CYP3A4 (0.35) SCN4ASMN1; SMN2ALDH1A1OPRM1CYP2C9
SCHEMBL2815309 0.74 HTT (0.39) HTTSCN4AP2RX7OPRM1MAPT
SCHEMBL14000159 0.71 MAPT (0.37) HTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL29031636 0.71 CNR2 (0.49) HTTSCN4ASMN1; SMN2P2RX7ALDH1A1
SCHEMBL11260320 0.70 ALDH1A1 (0.52) HTTGLASMN1; SMN2ALDH1A1NR1I2
SCHEMBL11871041 0.70 CYP3A4 (0.37) HTTSCN4AALDH1A1OPRM1MAPT
SCHEMBL14000191 0.69 SLC6A9 (0.43) SLC6A9
SCHEMBL21769889 0.69 HTT (0.39) HTTSCN4ASMN1; SMN2ALDH1A1OPRM1

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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