SCHEMBL21077123

SCHEMBL21077123

Cc1cc(NC(=O)C(C)(C)c2csc(NSC3CC3)n2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 3/20 0.43
▸ CTPS2 Q9NRF8 2/20 0.43
▸ MAPT P10636 7/20 0.43
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ THRB P10828 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ BLM P54132 1/20 0.38
▸ ATAD2 Q6PL18 1/20 0.37
▸ SHMT2 P34897 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
SCHEMBL21076824 0.87 CTPS1 (0.48) CTPS1CTPS2MAPTHTTLMNA
SCHEMBL21076854 0.85 CTPS1 (0.47) CTPS1CTPS2MAPTKMT2AMEN1
SCHEMBL21076850 0.83 LCK (0.39) CTPS1CTPS2MAPTHTTLMNA
SCHEMBL21077130 0.83 CTPS1 (0.64) CTPS1CTPS2
SCHEMBL21077028 0.82 CTPS1 (0.41) CTPS1CTPS2MAPTHTTKMT2A
SCHEMBL21077170 0.81 CTPS1 (0.45) CTPS1CTPS2
SCHEMBL21076996 0.78 CTPS1 (0.53) CTPS1CTPS2KMT2AMEN1RAB9A
SCHEMBL21077100 0.77 CTPS1 (0.48) CTPS1CTPS2MAPTHTTLMNA
SCHEMBL21076987 0.77 MAPK1 (0.42) CTPS1CTPS2MAPTHTTLMNA
SCHEMBL21077121 0.76 CTPS1 (0.53) CTPS1CTPS2

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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