SCHEMBL10690357

SCHEMBL10690357

CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3cc[n+](CC(F)(F)F)cc3)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.60
▸ PGR P06401 3/20 0.60
▸ ESR1 P03372 2/20 0.60
▸ PPARG P37231 2/20 0.60
▸ TDP1 Q9NUW8 7/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ MAPT P10636 4/20 0.58
▸ APEX1 P27695 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ POLB P06746 2/20 0.58
▸ RECQL P46063 2/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ CYP1A2 P05177 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL10695242 0.94 NR1I2 (0.60) NR1I2PGRESR1PPARGTDP1
SCHEMBL10695061 0.94 TDP1 (0.66) NR1I2PGRESR1PPARGTDP1
SCHEMBL10696537 0.92 NR1I2 (0.72) NR1I2PGRESR1PPARGTDP1
SCHEMBL10695981 0.91 NR1I2 (0.61) NR1I2PGRESR1PPARGTDP1
SCHEMBL9602363 0.91 NR1I2 (0.59) NR1I2PGRESR1PPARGTDP1
SCHEMBL9500054 0.90 TDP1 (0.61) NR1I2PGRESR1PPARGTDP1
SCHEMBL10693004 0.88 TDP1 (0.63) NR1I2PGRESR1PPARGTDP1
SCHEMBL10694770 0.88 TDP1 (0.58) NR1I2PGRESR1PPARGTDP1
SCHEMBL10697178 0.87 NR1I2 (0.60) NR1I2PGRESR1PPARGTDP1
SCHEMBL10696696 0.86 NR1I2 (0.61) NR1I2PGRESR1PPARGTDP1

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-4785090-A ANTIBIOTICS, BACTERICIDES MEIJI SEIKA KAISHA, LTD. (JP) 1988-11-15 — — US disclosed
EP-0153709-A2 Novel cephalosporin derivatives MEIJI SEIKA KAISHA LTD. (JP) 1985-09-04 — — EP disclosed
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