SCHEMBL21077137

SCHEMBL21077137

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 6/20 0.46
▸ CTPS2 Q9NRF8 1/20 0.45
▸ IRAK4 Q9NWZ3 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ WNT3A P56704 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ VCP P55072 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL21076999 0.83 CTPS1 (0.68) CTPS1CTPS2WNT3A
SCHEMBL21077047 0.82 CTPS1 (0.52) CTPS1CTPS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL21077186 0.81 CTPS1 (0.55) CTPS1CTPS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL21044327 0.80 CTPS1 (0.70) CTPS1CTPS2
SCHEMBL21077175 0.80 CTPS1 (0.44) CTPS1CTPS2IRAK4KDM4EALDH1A1
SCHEMBL21076918 0.79 CTPS1 (0.55) CTPS1CTPS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL21077199 0.79 CTPS1 (0.53) CTPS1CTPS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL21077207 0.78 CTPS1 (0.69) CTPS1CTPS2
SCHEMBL21076877 0.74 CTPS1 (0.57) CTPS1ALDH1A1WNT3APKM
SCHEMBL21077075 0.72 CTPS1 (0.64) CTPS1SMN1; SMN2MEN1KMT2AWNT3A

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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