SCHEMBL21077128

SCHEMBL21077128

O=C(Cc1csc(N[S+]([O-])C2CC2)n1)Nc1ccc(-c2ccccc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 7/20 0.67
▸ WNT3A P56704 2/20 0.47
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SLC12A2 P55011 1/20 0.42
▸ SLC12A5 Q9H2X9 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ PDE5A O76074 2/20 0.40

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
SCHEMBL21076877 0.92 CTPS1 (0.57) CTPS1WNT3A
SCHEMBL21076939 0.83 CTPS1 (0.51) CTPS1MEN1KMT2A
SCHEMBL21076999 0.83 CTPS1 (0.68) CTPS1WNT3A
SCHEMBL31152540 0.80 CTPS1 (1.00) CTPS1WNT3A
SCHEMBL21044051 0.80 CTPS1 (1.00) CTPS1WNT3A
SCHEMBL21077075 0.80 CTPS1 (0.64) CTPS1WNT3AMEN1KMT2A
SCHEMBL21077246 0.79 CTPS1 (0.54) CTPS1MEN1KMT2A
SCHEMBL21077101 0.79 CTPS1 (0.53) CTPS1MEN1KMT2AKDM4E
SCHEMBL21077035 0.77 CTPS1 (0.52) CTPS1MEN1KMT2A
SCHEMBL21077018 0.76 CTPS1 (0.53) CTPS1WNT3AMEN1KMT2A

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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