SCHEMBL30132070

SCHEMBL30132070

CN(CC(=O)Nc1cccc(F)c1)Cc1nc2ccsc2c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
ALPL P05186 1/20 0.57
HTT P42858 3/20 0.53
RXFP1 Q9HBX9 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL23723622 1.00 ALDH1A1 (0.57) ALDH1A1ALPLHTTRXFP1KDM4E
SCHEMBL26526228 0.90 ALDH1A1 (0.54) ALDH1A1ALPLHTTRXFP1KDM4E
SCHEMBL23749876 0.82 ALDH1A1 (0.52) ALDH1A1ALPLHTTRXFP1KDM4E
SCHEMBL30132103 0.79 ALDH1A1 (0.58) ALDH1A1ALPLHTTRXFP1KDM4E
SCHEMBL23723554 0.79 ALDH1A1 (0.58) ALDH1A1ALPLHTTRXFP1KDM4E
SCHEMBL23723519 0.78 ALDH1A1 (0.53) ALDH1A1ALPLHTTRXFP1KDM4E
SCHEMBL23723730 0.77 ALDH1A1 (0.56) ALDH1A1ALPLHTTRXFP1KDM4E
SCHEMBL23723548 0.76 ALDH1A1 (0.56) ALDH1A1ALPLHTTKDM4ELMNA
SCHEMBL23723545 0.73 RXFP1 (0.46) ALDH1A1ALPLHTTRXFP1KDM4E
SCHEMBL4213024 0.71 HTT (0.68) ALDH1A1HTTRXFP1KDM4ELMNA

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
EP-4100015-A1 COMBINATION THERAPY FOR TREATING MPS1 Gain Therapeutics SA (CH) 2022-12-14 EP disclosed