SCHEMBL30132068

SCHEMBL30132068

CCN(CC(=O)N(C)c1ccccc1Cl)Cc1nc2c(C)csc2c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 8/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIM1 P11309 3/20 0.36
PIM2 Q9P1W9 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PPARG P37231 1/20 0.35
CCR6 P51684 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ALPL P05186 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL23723538 1.00 PDE5A (0.40) PDE5ATDP1HTTRXFP1ALDH1A1
SCHEMBL23723691 0.93 PDE5A (0.41) PDE5ATDP1HTTRXFP1ALDH1A1
SCHEMBL23723617 0.90 PDE5A (0.39) PDE5ATDP1HTTRXFP1ALDH1A1
SCHEMBL23723528 0.90 PDE5A (0.40) PDE5ATDP1HTTRXFP1ALDH1A1
SCHEMBL30132101 0.90 PDE5A (0.40) PDE5ATDP1HTTRXFP1ALDH1A1
SCHEMBL23723613 0.86 PDE5A (0.37) PDE5AHTTRXFP1ALDH1A1NPSR1
SCHEMBL30132102 0.82 ALDH1A1 (0.43) PDE5ATDP1HTTRXFP1ALDH1A1
SCHEMBL23723507 0.82 ALDH1A1 (0.43) PDE5ATDP1HTTRXFP1ALDH1A1
SCHEMBL23723741 0.78 ALDH1A1 (0.50) TDP1ALDH1A1NPSR1POLBMAPK1
SCHEMBL30132084 0.78 ALDH1A1 (0.50) TDP1ALDH1A1NPSR1POLBMAPK1

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