SCHEMBL21076877

SCHEMBL21076877

O=C(Cc1csc(N[S+]([O-])C2CC2)n1)Nc1ccc(-c2cccnc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 9/20 0.57
▸ WNT3A P56704 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ GSK3B P49841 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPT P10636 1/20 0.39

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
SCHEMBL21077128 0.92 CTPS1 (0.67) CTPS1WNT3A
SCHEMBL21076999 0.89 CTPS1 (0.68) CTPS1WNT3A
SCHEMBL21077150 0.84 CTPS1 (0.51) CTPS1ALDH1A1HTTMAPT
SCHEMBL21077093 0.83 CTPS1 (0.55) CTPS1WNT3AGSK3BDYRK1AABL1
SCHEMBL32663036 0.81 CTPS1 (0.85) CTPS1
SCHEMBL21044320 0.81 CTPS1 (0.85) CTPS1
SCHEMBL21076939 0.80 CTPS1 (0.51) CTPS1MAPT
SCHEMBL21077018 0.80 CTPS1 (0.53) CTPS1WNT3A
SCHEMBL21077075 0.80 CTPS1 (0.64) CTPS1WNT3AHTTMAPT
SCHEMBL21077246 0.79 CTPS1 (0.54) CTPS1HTTMAPT

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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