SCHEMBL24938229

SCHEMBL24938229

Fc1ccc(Cc2ccsc2CCNS)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.40
HCAR2 Q8TDS4 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.33
IDO1 P14902 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
MAPK8 P45983 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2976063 0.71 PTGS1 (0.41) TAAR1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8305833 0.69 PTGS1 (0.38) TAAR1HCAR2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8304165 0.69 MAPT (0.40) TAAR1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8306828 0.66 ALDH1A1 (0.47) TAAR1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2988533 0.65 SIGMAR1 (0.45) L3MBTL1
SCHEMBL5148788 0.65 PTGS1 (0.35) TAAR1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL765509 0.65 MEN1 (0.43) RAB9AALDH1A1MEN1KMT2APTGS1
SCHEMBL755262 0.64 KMT2A (0.46) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL371748 0.63 CALM1 (0.46) MEN1KMT2AHPGD
SCHEMBL3102987 0.62 CHRNB2 (0.36) HCAR2RAB9ASMN1; SMN2ALDH1A1PTGS1

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-2023285787-A1 SULFUR COMPOUNDS AND PROCESSES AND INTERMEDIATES USEFUL IN THE PREPARATION THEREOF OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-01-19 WO disclosed