SCHEMBL21077028

SCHEMBL21077028

Cc1cc(Br)ccc1NC(=O)C(C)(C)c1csc(NSC2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 6/20 0.41
▸ CTPS2 Q9NRF8 4/20 0.40
▸ HTT P42858 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ATAD2 Q6PL18 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL21076987 0.89 MAPK1 (0.42) CTPS1CTPS2HTTATAD2MAPT
SCHEMBL21076850 0.87 LCK (0.39) CTPS1CTPS2HTTHPGDATAD2
SCHEMBL21076824 0.85 CTPS1 (0.48) CTPS1CTPS2HTTATAD2MAPT
SCHEMBL21077026 0.83 CTPS1 (0.60) CTPS1CTPS2
SCHEMBL21077123 0.82 CTPS1 (0.43) CTPS1CTPS2HTTATAD2MAPT
SCHEMBL21077100 0.81 CTPS1 (0.48) CTPS1CTPS2HTTATAD2MAPT
SCHEMBL21077073 0.79 CTPS1 (0.48) CTPS1CTPS2KDM4E
SCHEMBL21077103 0.77 CTPS1 (0.40) CTPS1CTPS2HTTHPGDATAD2
SCHEMBL21076854 0.74 CTPS1 (0.47) CTPS1CTPS2ATAD2MAPTGAA
SCHEMBL21076996 0.72 CTPS1 (0.53) CTPS1CTPS2ATAD2SMN1; SMN2MAPK1

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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