SCHEMBL11044055

SCHEMBL11044055

O=C(O)CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3ccc4nnnn4n3)CS[C@@H]12)c1ncsn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 3/20 0.48
▸ PGR P06401 3/20 0.48
▸ TDP1 Q9NUW8 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SLC22A6 Q4U2R8 3/20 0.43
▸ SLC22A8 Q8TCC7 3/20 0.43
▸ SLC22A11 Q9NSA0 3/20 0.43
▸ CTDSP1 Q9GZU7 2/20 0.43
▸ PPARG P37231 2/20 0.43
▸ POLB P06746 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ APAF1 O14727 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ APEX1 P27695 1/20 0.43

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
SCHEMBL11044052 1.00 NR1I2 (0.48) NR1I2PGRTDP1LMNAKMT2A
SCHEMBL11046836 0.92 NR1I2 (0.46) NR1I2PGRTDP1LMNAKMT2A
SCHEMBL11046833 0.92 NR1I2 (0.46) NR1I2PGRTDP1LMNAKMT2A
SCHEMBL10857276 0.89 NR1I2 (0.52) NR1I2PGRTDP1LMNAKMT2A
SCHEMBL10857283 0.89 NR1I2 (0.52) NR1I2PGRTDP1LMNAKMT2A
SCHEMBL10935302 0.89 NR1I2 (0.53) NR1I2PGRTDP1LMNAKMT2A
SCHEMBL10935292 0.89 NR1I2 (0.53) NR1I2PGRTDP1LMNAKMT2A
SCHEMBL11040786 0.86 NR1I2 (0.64) NR1I2PGRTDP1KDM4EHSD17B10
SCHEMBL11040788 0.86 NR1I2 (0.64) NR1I2PGRTDP1KDM4EHSD17B10
SCHEMBL11012761 0.86 NR1I2 (0.67) NR1I2PGRTDP1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4463003-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US claimed
US-4463003-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US disclosed
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