SCHEMBL21076865

SCHEMBL21076865

CCCSNc1nc(C(OC)C(=O)Nc2ccc(-c3cncc(OC)n3)cc2)cs1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 6/20 0.37
▸ NTRK1 P04629 3/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ LMNA P02545 3/20 0.36
▸ MAPT P10636 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ GFER P55789 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NAMPT P43490 1/20 0.33

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
SCHEMBL22762580 0.81 CTPS1 (0.49) CTPS1
SCHEMBL22491626 0.79 CTPS1 (0.55) CTPS1
SCHEMBL21044263 0.79 CTPS1 (0.55) CTPS1
SCHEMBL22491734 0.79 CTPS1 (0.55) CTPS1
SCHEMBL22491710 0.79 CTPS1 (0.51) CTPS1
SCHEMBL21077234 0.78 CTPS1 (0.40) CTPS1NTRK1RAB9ALMNAMEN1
SCHEMBL22491634 0.75 CTPS1 (0.63) CTPS1
SCHEMBL22491743 0.75 CTPS1 (0.63) CTPS1
SCHEMBL22491633 0.75 CTPS1 (0.63) CTPS1
SCHEMBL22491665 0.73 CTPS1 (0.51) CTPS1

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-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 — — EP disclosed
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