SCHEMBL21241835

SCHEMBL21241835

NSc1cccc(C(=O)NCC(=O)Nc2nc(-c3ccccc3)cs2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
SCD O00767 1/20 0.51
GAA P10253 1/20 0.51
HDAC3 O15379 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48

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
SCHEMBL21241945 0.90 MAPT (0.53) ELOVL1MAPTMEN1KMT2AALDH1A1
SCHEMBL21241834 0.88 MAPT (0.51) ELOVL1MAPTMEN1KMT2AALDH1A1
SCHEMBL21241931 0.87 MAPT (0.55) ELOVL1MAPTMEN1KMT2AALDH1A1
SCHEMBL21241901 0.87 MAPT (0.48) ELOVL1MAPTMEN1KMT2AALDH1A1
SCHEMBL21225282 0.83 MAPT (0.58) ELOVL1MAPTMEN1KMT2AALDH1A1
SCHEMBL21242057 0.82 MAPT (0.58) ELOVL1MAPTMEN1KMT2AALDH1A1
SCHEMBL21224313 0.82 MAPT (0.53) ELOVL1MAPTMEN1KMT2AALDH1A1
SCHEMBL21225263 0.81 KDM4A (0.62) ELOVL1MAPTMEN1KMT2AALDH1A1
SCHEMBL21224424 0.81 MAPT (0.52) ELOVL1MAPTMEN1KMT2AALDH1A1
SCHEMBL21241928 0.81 SCD (0.60) ELOVL1MAPTMEN1KMT2AALDH1A1

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