SCHEMBL21076987

SCHEMBL21076987

COc1cc(Br)ccc1NC(=O)C(C)(C)c1csc(NSC2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.42
▸ CTPS1 P17812 5/20 0.40
▸ CTPS2 Q9NRF8 3/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ LPAR1 Q92633 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ ATAD2 Q6PL18 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
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL21077028 0.89 CTPS1 (0.41) MAPK1CTPS1CTPS2KMT2AMAPT
SCHEMBL21076986 0.83 CTPS1 (0.58) MAPK1CTPS1CTPS2
SCHEMBL30420461 0.83 CTPS1 (0.58) MAPK1CTPS1CTPS2
SCHEMBL21077031 0.83 CTPS1 (0.49) MAPK1CTPS1CTPS2KMT2ANPC1
SCHEMBL21076824 0.83 CTPS1 (0.48) MAPK1CTPS1CTPS2KMT2AMAPT
SCHEMBL21077100 0.80 CTPS1 (0.48) MAPK1CTPS1CTPS2KMT2AMAPT
SCHEMBL21076850 0.79 LCK (0.39) MAPK1CTPS1CTPS2KMT2AMAPT
SCHEMBL21077123 0.77 CTPS1 (0.43) CTPS1CTPS2KMT2AMAPTATAD2
SCHEMBL21076854 0.76 CTPS1 (0.47) CTPS1CTPS2KMT2AMAPTATAD2
SCHEMBL21077103 0.76 CTPS1 (0.40) MAPK1CTPS1CTPS2KMT2AMAPT

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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