SCHEMBL21076854

SCHEMBL21076854

CCOc1cc(NC(=O)C(C)(C)c2csc(NSC3CC3)n2)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 9/20 0.47
▸ CTPS2 Q9NRF8 3/20 0.47
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ NPY2R P49146 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ATAD2 Q6PL18 1/20 0.34
▸ GRM4 Q14833 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
SCHEMBL21077123 0.85 CTPS1 (0.43) CTPS1CTPS2KMT2AMEN1MAPT
SCHEMBL21076857 0.84 CTPS1 (0.68) CTPS1CTPS2
SCHEMBL21076824 0.82 CTPS1 (0.48) CTPS1CTPS2KMT2AGAAMEN1
SCHEMBL21076955 0.82 CTPS1 (0.47) CTPS1CTPS2
SCHEMBL21077197 0.80 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21076987 0.76 MAPK1 (0.42) CTPS1CTPS2KMT2AGAAPDE5A
SCHEMBL21076996 0.76 CTPS1 (0.53) CTPS1CTPS2KMT2AMEN1SMN1; SMN2
SCHEMBL21077100 0.75 CTPS1 (0.48) CTPS1CTPS2KMT2AGAAMEN1
SCHEMBL21076850 0.75 LCK (0.39) CTPS1CTPS2KMT2AGAAMEN1
SCHEMBL21077028 0.74 CTPS1 (0.41) CTPS1CTPS2KMT2AGAAMEN1

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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