SCHEMBL21076824

SCHEMBL21076824

CC(C)(C(=O)Nc1ccc(Br)cc1)c1csc(NSC2CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 6/20 0.48
▸ CTPS2 Q9NRF8 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ ATAD2 Q6PL18 1/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ POLB P06746 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TMIGD3 P0DMS9 1/20 0.36

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 0.87 CTPS1 (0.43) CTPS1CTPS2MAPTHTTATAD2
SCHEMBL21077100 0.85 CTPS1 (0.48) CTPS1CTPS2SMN1; SMN2MAPK1MAPT
SCHEMBL21076996 0.85 CTPS1 (0.53) CTPS1CTPS2SMN1; SMN2MAPK1ATAD2
SCHEMBL21077028 0.85 CTPS1 (0.41) CTPS1CTPS2SMN1; SMN2MAPK1MAPT
SCHEMBL21076987 0.83 MAPK1 (0.42) CTPS1CTPS2SMN1; SMN2MAPK1MAPT
SCHEMBL21076850 0.83 LCK (0.39) CTPS1CTPS2SMN1; SMN2MAPK1MAPT
SCHEMBL21076854 0.82 CTPS1 (0.47) CTPS1CTPS2SMN1; SMN2MAPTGAA
SCHEMBL21044589 0.81 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21077177 0.81 CTPS1 (0.51) CTPS1CTPS2KMT2ANPC1LMNA
SCHEMBL21077098 0.78 CTPS1 (0.53) CTPS1SMN1; SMN2MAPTGAAHTT

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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