SCHEMBL21077175

SCHEMBL21077175

COC(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 7/20 0.44
▸ CTPS2 Q9NRF8 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ PORCN Q9H237 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ FPR2 P25090 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
SCHEMBL21077047 0.91 CTPS1 (0.52) CTPS1CTPS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL21077199 0.87 CTPS1 (0.53) CTPS1CTPS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL21077234 0.83 CTPS1 (0.40) CTPS1ALDH1A1RAB9ANPC1MEN1
SCHEMBL21044276 0.82 CTPS1 (0.65) CTPS1CTPS2
SCHEMBL21077137 0.80 CTPS1 (0.46) CTPS1CTPS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL21076999 0.79 CTPS1 (0.68) CTPS1CTPS2PORCNWNT3A
SCHEMBL21076863 0.78 ADRB3 (0.39) CTPS1CTPS2SMN1; SMN2RAB9ANPC1
SCHEMBL21077186 0.78 CTPS1 (0.55) CTPS1CTPS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL21076918 0.77 CTPS1 (0.55) CTPS1CTPS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL21077015 0.77 CTPS1 (0.41) CTPS1PSEN1PSEN2APH1BNCSTN

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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