SCHEMBL6560346

SCHEMBL6560346

O=S(=O)(Nc1cccnc1)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ IDO1 P14902 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ ATM Q13315 1/20 0.58
▸ PIK3CB P42338 1/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ POLB P06746 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ LMNA P02545 4/20 0.58
▸ TSHR P16473 3/20 0.58
▸ PKM P14618 1/20 0.56
▸ PKLR P30613 1/20 0.56
▸ PGR P06401 1/20 0.56

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
SCHEMBL6078001 0.84 IKBKB (0.57) KMT2AMEN1
SCHEMBL9942091 0.83 ATM (0.68) KMT2AMEN1GAAATMPIK3CB
SCHEMBL20021987 0.82 PGR (0.77) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL28396503 0.82 PGR (0.77) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL29549847 0.82 PGR (0.77) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL1094118 0.81 MEN1 (0.73) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL31661903 0.81 MEN1 (0.73) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL6979083 0.77 SMN1; SMN2 (0.74) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL28644956 0.77 KMT2A (1.00) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL10031630 0.77 KMT2A (0.72) KMT2AMEN1GAASMN1; SMN2POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102427853-A Protease Inhibitors ORION CORP 2012-04-25 — — CN disclosed
EP-1395606-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2004-03-10 — — EP disclosed
WO-2002100886-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2002-12-19 — — WO disclosed
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