SCHEMBL21241901

SCHEMBL21241901

O=C(CNC(=O)c1cccc(SC2CC2)c1)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
ELOVL1 Q9BW60 1/20 0.48
SCD O00767 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 3/20 0.46
USP2 O75604 2/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL21241835 0.87 ELOVL1 (0.52) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL21241945 0.87 MAPT (0.53) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL21241931 0.86 MAPT (0.55) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL21241834 0.85 MAPT (0.51) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL21224165 0.81 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL21241854 0.81 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL21224313 0.79 MAPT (0.53) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL21242057 0.79 MAPT (0.58) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL21242061 0.79 POLB (0.52) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL21225282 0.78 MAPT (0.58) MAPTKMT2AMEN1ALDH1A1CYP1A2

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-2019152437-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2019-08-08 WO disclosed