SCHEMBL7519962

SCHEMBL7519962

CC(C)(C)NSc1nc2c(SN)cccc2s1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 6/20 0.33
PKM P14618 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL546221 0.81 ALDH1A1 (0.49) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL6689383 0.81 ALDH1A1 (0.52) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL7074954 0.80 ALDH1A1 (0.33) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL6690619 0.78 MEN1 (0.45) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL6693674 0.77 ALDH1A1 (0.56) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL29683632 0.76 MEN1 (0.36) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL6694175 0.76 MEN1 (0.36) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL6689073 0.76 KMT2A (0.44) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL11156546 0.75 ALDH1A1 (0.34) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL7692784 0.75 FBP1 (0.49) MAPTMEN1KMT2ATDP1CYP3A4

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
JP-2002020550-A RUBBER COMPOSITION YOKOHAMA RUBBER CO LTD:THE 2002-01-23 JP disclosed