SCHEMBL21077007

SCHEMBL21077007

COc1ccccc1-c1ccc(NC(=O)Cc2csc(N[S+]([O-])C3CC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ CTPS1 P17812 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ ALOX12 P18054 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ SHMT2 P34897 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL21077101 0.84 CTPS1 (0.53) MEN1KMT2ACTPS1MAPTSMN1; SMN2
SCHEMBL21077075 0.83 CTPS1 (0.64) MEN1KMT2ACTPS1MAPTSMN1; SMN2
SCHEMBL21077035 0.83 CTPS1 (0.52) MEN1KMT2ACTPS1ALDH1A1MAPT
SCHEMBL21077154 0.82 CTPS1 (0.46) L3MBTL1MEN1KMT2ACTPS1ALDH1A1
SCHEMBL30562354 0.81 CTPS1 (0.76) L3MBTL1MEN1KMT2ACTPS1ALDH1A1
SCHEMBL21044422 0.81 CTPS1 (0.76) L3MBTL1MEN1KMT2ACTPS1ALDH1A1
SCHEMBL21077246 0.81 CTPS1 (0.54) MEN1KMT2ACTPS1MAPTSMN1; SMN2
SCHEMBL21076999 0.80 CTPS1 (0.68) CTPS1
SCHEMBL21076939 0.80 CTPS1 (0.51) MEN1KMT2ACTPS1MAPTSMN1; SMN2
SCHEMBL21077150 0.79 CTPS1 (0.51) MEN1KMT2ACTPS1ALDH1A1MAPT

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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