SCHEMBL21765871

SCHEMBL21765871

CSCc1ccc(-c2ccc(CSC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
MAPT P10636 2/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36
NOS1 P29475 1/20 0.35
IDO1 P14902 2/20 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
SCHEMBL5209430 0.91 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19193983 0.90 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7024703 0.90 TAAR1 (0.50) LMNATAAR1IDO1
SCHEMBL7447844 0.88 MAOB (0.47) NPC1RAB9AMEN1KMT2ABCHE
SCHEMBL515186 0.80 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10299392 0.80 IDO1 (0.52) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21524730 0.79 TAAR1 (0.41) HRH3MAPTKDM4EMEN1KMT2A
SCHEMBL19194006 0.79 HDAC8 (0.44) NPC1RAB9ASMN1; SMN2LMNAACHE
SCHEMBL11547033 0.78 ESR1 (0.50) MAPTNPC1RAB9ALMNAKDM4E
SCHEMBL15962378 0.78 LMNA (0.41) MAPTNPC1RAB9ASMN1; SMN2LMNA

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
WO-2022261257-A1 STAPLED PEPTIDES AND METHODS THEREOF FOG PHARMACEUTICALS, INC. (US) 2022-12-15 WO disclosed
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed