SCHEMBL21077101

SCHEMBL21077101

O=C(Cc1csc(N[S+]([O-])C2CC2)n1)Nc1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 9/20 0.53
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL21077075 0.91 CTPS1 (0.64) CTPS1MAPTKMT2AMEN1LMNA
SCHEMBL21077035 0.88 CTPS1 (0.52) CTPS1MAPTKMT2AMEN1LMNA
SCHEMBL21077246 0.88 CTPS1 (0.54) CTPS1MAPTKMT2AMEN1LMNA
SCHEMBL21076939 0.86 CTPS1 (0.51) CTPS1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL21076999 0.86 CTPS1 (0.68) CTPS1
SCHEMBL21077007 0.84 L3MBTL1 (0.51) CTPS1KDM4EMAPTKMT2AMEN1
SCHEMBL21077018 0.83 CTPS1 (0.53) CTPS1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL21077128 0.79 CTPS1 (0.67) CTPS1KDM4EKMT2AMEN1
SCHEMBL21044179 0.79 CTPS1 (0.83) CTPS1KDM4E
SCHEMBL21076846 0.77 ALDH1A1 (0.44) CTPS1KDM4EMAPTLMNASMN1; SMN2

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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