SCHEMBL21077075

SCHEMBL21077075

O=C(Cc1csc(N[S+]([O-])C2CC2)n1)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 11/20 0.64
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ WNT3A P56704 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 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
SCHEMBL21077246 0.91 CTPS1 (0.54) CTPS1MEN1KMT2ALMNAHTT
SCHEMBL21077101 0.91 CTPS1 (0.53) CTPS1MEN1KMT2ALMNAHTT
SCHEMBL21076999 0.91 CTPS1 (0.68) CTPS1WNT3A
SCHEMBL21077035 0.89 CTPS1 (0.52) CTPS1MEN1KMT2ALMNAHTT
SCHEMBL21077018 0.88 CTPS1 (0.53) CTPS1MEN1KMT2AWNT3ACYP1A2
SCHEMBL21076939 0.87 CTPS1 (0.51) CTPS1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL21077007 0.83 L3MBTL1 (0.51) CTPS1MEN1KMT2ALMNACYP1A2
SCHEMBL21077154 0.83 CTPS1 (0.46) CTPS1MEN1KMT2ALMNACYP1A2
SCHEMBL21044299 0.78 CTPS1 (1.00) CTPS1
SCHEMBL21076846 0.78 ALDH1A1 (0.44) CTPS1LMNASMN1; SMN2GAAMAPT

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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