SCHEMBL21076938

SCHEMBL21076938

COc1cc(-c2cncc(Cl)c2)ccc1NC(=O)C(C)(C)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 11/20 0.47
▸ CTPS2 Q9NRF8 4/20 0.42
▸ MAPK1 P28482 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ STK17B O94768 2/20 0.34
▸ STK17A Q9UEE5 2/20 0.34
▸ CFTR P13569 2/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ DAPK2 Q9UIK4 1/20 0.34
▸ P2RX3 P56373 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
SCHEMBL21077171 0.91 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077074 0.89 CTPS1 (0.60) CTPS1CTPS2MAPK1PTGS2KDM4E
SCHEMBL21077245 0.88 CTPS1 (0.58) CTPS1CTPS2IRAK4
SCHEMBL21077065 0.88 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21076941 0.86 CTPS1 (0.50) CTPS1CTPS2
SCHEMBL21077161 0.85 CTPS1 (0.47) CTPS1CTPS2
SCHEMBL21076891 0.85 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL30528842 0.83 CTPS1 (0.67) CTPS1CTPS2
SCHEMBL21044244 0.83 CTPS1 (0.67) CTPS1CTPS2
SCHEMBL21077149 0.83 CTPS1 (0.59) 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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