SCHEMBL8123703

SCHEMBL8123703

O=C(O)c1cn(-c2ccc(F)cn2)c2cc(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.73
▸ ALDH1A1 P00352 6/20 0.73
▸ KDM4E B2RXH2 6/20 0.73
▸ HSD17B10 Q99714 5/20 0.73
▸ HPGD P15428 4/20 0.73
▸ TOP2A P11388 4/20 0.60
▸ TOP2B Q02880 3/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ BRD4 O60885 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ CYP2J2 P51589 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ DRD3 P35462 1/20 0.46
▸ TOP1 P11387 1/20 0.45
▸ ATP6V1B2 P21281 1/20 0.44
▸ TBXA2R P21731 1/20 0.44

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
Hydrochloric Acid SCHEMBL8129182 0.99 LMNA (0.75) LMNAALDH1A1KDM4EHSD17B10HPGD
Fandofloxacin SCHEMBL1650067 0.89 LMNA (0.74) LMNAALDH1A1KDM4EHSD17B10HPGD
Fandofloxacin SCHEMBL1230394 0.88 LMNA (0.73) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8131363 0.88 ALDH1A1 (0.56) LMNAALDH1A1KDM4EHSD17B10HPGD
Fandofloxacin SCHEMBL1650236 0.87 LMNA (0.72) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8128846 0.87 KDM4E (0.56) LMNAALDH1A1KDM4EHSD17B10HPGD
Hydrochloric Acid SCHEMBL8134836 0.87 ALDH1A1 (0.58) LMNAALDH1A1KDM4EHSD17B10HPGD
Hydrochloric Acid SCHEMBL27351294 0.86 ALDH1A1 (0.57) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10657099 0.85 ALDH1A1 (0.80) LMNAALDH1A1KDM4EHSD17B10HPGD
Sarafloxacin SCHEMBL311593 0.85 ALDH1A1 (0.98) LMNAALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713487-B1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARM IND CO LTD (KR) 2000-04-19 — — EP disclosed
CN-1128995-A Novel Quinolone carboxylic acid derivative DONG WHA PHARM IND CO LTD (KR) 1996-08-14 — — CN disclosed
US-5496947-A BACTERICIDES DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 1996-03-05 — — US disclosed
WO-1995005373-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 1995-02-23 — — WO disclosed
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