SCHEMBL10767966

SCHEMBL10767966

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(CSc3ccc4nncn4n3)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.68
▸ MAPT P10636 6/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ FAP Q12884 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ NR1I2 O75469 4/20 0.57
▸ PGR P06401 2/20 0.57
▸ HTR2C P28335 1/20 0.56
▸ PPARG P37231 2/20 0.56
▸ SLC22A6 Q4U2R8 2/20 0.56
▸ SLC22A8 Q8TCC7 2/20 0.56
▸ SLC22A11 Q9NSA0 2/20 0.56
▸ ALB P02768 1/20 0.56
▸ TDP1 Q9NUW8 5/20 0.55
▸ APEX1 P27695 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ RECQL P46063 2/20 0.55

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
SCHEMBL10765284 0.90 NR1I2 (0.69) PTGS1MAPTALDH1A1NR1I2PGR
SCHEMBL10760893 0.89 TDP1 (0.68) MAPTALDH1A1NR1I2PGRHTR2C
SCHEMBL10760317 0.87 PTGS1 (0.64) PTGS1MAPTALDH1A1NR1I2PGR
SCHEMBL10740265 0.85 PTGS1 (0.83) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL10740262 0.85 PTGS1 (0.83) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL10416364 0.85 PTGS1 (0.73) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL8747393 0.85 PTGS1 (0.74) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL10740163 0.84 NR1I2 (0.80) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL10740168 0.84 NR1I2 (0.80) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL9329625 0.84 PTGS1 (0.68) PTGS1MAPTALDH1A1FAPUSP2

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-0228061-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1987-07-08 — — EP disclosed
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