SCHEMBL21077047

SCHEMBL21077047

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 7/20 0.52
▸ PSEN1 P49768 2/20 0.47
▸ PSEN2 P49810 2/20 0.47
▸ APH1B Q8WW43 2/20 0.47
▸ NCSTN Q92542 2/20 0.47
▸ APH1A Q96BI3 2/20 0.47
▸ PSENEN Q9NZ42 2/20 0.47
▸ CTPS2 Q9NRF8 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL21077175 0.91 CTPS1 (0.44) CTPS1PSEN1PSEN2APH1BNCSTN
SCHEMBL21077199 0.90 CTPS1 (0.53) CTPS1PSEN1PSEN2APH1BNCSTN
SCHEMBL21076863 0.82 ADRB3 (0.39) CTPS1CTPS2SMN1; SMN2ADRB3RAB9A
SCHEMBL21077137 0.82 CTPS1 (0.46) CTPS1CTPS2SMN1; SMN2KDM4EALDH1A1
SCHEMBL21044346 0.81 CTPS1 (0.72) CTPS1PSEN1PSEN2APH1BNCSTN
SCHEMBL21076999 0.81 CTPS1 (0.68) CTPS1CTPS2ADRB3WNT3A
SCHEMBL21077186 0.80 CTPS1 (0.55) CTPS1CTPS2SMN1; SMN2KDM4EALDH1A1
SCHEMBL21076918 0.79 CTPS1 (0.55) CTPS1CTPS2SMN1; SMN2KDM4EALDH1A1
SCHEMBL21077014 0.79 CTPS1 (0.42) CTPS1SMN1; SMN2ADRB3RAB9ANPC1
SCHEMBL21077015 0.79 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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