SCHEMBL10784346

SCHEMBL10784346

CC1CCc2c(Br)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.68
KDM4E B2RXH2 6/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CYP1A2 P05177 1/20 0.64
KMT2A Q03164 1/20 0.49
TOP2A P11388 9/20 0.48
TOP2B Q02880 9/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALB P02768 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
AADAT Q8N5Z0 2/20 0.48
POLB P06746 2/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48

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
Water SCHEMBL10784206 0.98 LMNA (0.66) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
Water SCHEMBL10784167 0.98 LMNA (0.66) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL10785072 0.90 LMNA (0.56) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL10788067 0.89 LMNA (0.55) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL8083425 0.88 LMNA (0.70) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
Water SCHEMBL10784212 0.88 LMNA (0.54) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
Water SCHEMBL10789927 0.88 LMNA (0.54) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
Water SCHEMBL10784171 0.88 LMNA (0.54) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
Ibafloxacin SCHEMBL154637 0.87 LMNA (0.69) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
Ibafloxacin SCHEMBL10073765 0.87 LMNA (0.69) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4691016-A MICROBIOCIDES, 8-AMINO-6,7-DIHYDRO-9-FLUORO-5-METHYL-1-OXO-1H,5H-BENZO(IJ)QUINOLIZINE-2 -CARBOXYLIC ACID RIKER LABORATORIES, INC. (US) 1987-09-01 US disclosed
US-4691016-A MICROBIOCIDES, 8-AMINO-6,7-DIHYDRO-9-FLUORO-5-METHYL-1-OXO-1H,5H-BENZO(IJ)QUINOLIZINE-2 -CARBOXYLIC ACID RIKER LABORATORIES, INC. (US) 1987-09-01 US disclosed
US-4594347-A MICROBIOCIDES OTSUKA PHARMACEUTICAL CO. LIMITED (JP) 1986-06-10 US disclosed
US-4556713-A INTERMEDIATES TO FORM 8-HALO-6,7-DIHYDRO-9-FLUORO-5-METHYL-1-OXO-1H,5H,BENZO(I5)QUINOLIZINE-2 -CARBOXYLIC ACIDS, ANTIMICROBIALS RIKER LABORATORIES, INC. (US) 1985-12-03 US disclosed
US-4556713-A INTERMEDIATES TO FORM 8-HALO-6,7-DIHYDRO-9-FLUORO-5-METHYL-1-OXO-1H,5H,BENZO(I5)QUINOLIZINE-2 -CARBOXYLIC ACIDS, ANTIMICROBIALS RIKER LABORATORIES, INC. (US) 1985-12-03 US disclosed
US-4552879-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-11-12 US disclosed
US-4524148-A BACTERICIDES RIKER LABORATORIES, INC. (US) 1985-06-18 US disclosed
US-4524148-A BACTERICIDES RIKER LABORATORIES, INC. (US) 1985-06-18 US disclosed
EP-0115334-A1 Benzo-heterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-08 EP disclosed
US-4416884-A ANTIBIOTIC, BACTERICIDE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-22 US disclosed
US-4399134-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-08-16 US disclosed