SCHEMBL24938149

SCHEMBL24938149

CCCCNSc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
HTR7 P34969 1/20 0.38
KCNH3 Q9ULD8 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL28450099 0.82 HPGD (0.47) TSHRTDP1KMT2AMEN1HPGD
SCHEMBL2554566 0.80 LMNA (0.44) HDAC3HDAC1HDAC2TSHRKMT2A
SCHEMBL22679713 0.78 HDAC1 (0.46) HDAC3HDAC1HDAC2TSHRHPGD
SCHEMBL22572498 0.77 MGLL (0.47) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9721489 0.76 ESR1 (0.44) TSHRKMT2AMEN1LMNAMAPK1
SCHEMBL20345804 0.76 L3MBTL1 (0.47) TSHRKMT2AMEN1HPGDL3MBTL1
SCHEMBL8604423 0.74 SIGMAR1 (0.47) KCNH3HPGDHTTLMNAALDH1A1
SCHEMBL8244931 0.71 KCNH3 (0.57) HDAC3HDAC1HDAC2TSHRHTR7
SCHEMBL20345821 0.69 HPGD (0.39) TSHRTDP1KMT2AMEN1HPGD
SCHEMBL424976 0.69 MAOA (0.53) TSHRHTR7ALDH1A1

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