SCHEMBL8134832

SCHEMBL8134832

N[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccncc2F)C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.78
▸ EPHA2 P29317 1/20 0.59
▸ FLT4 P35916 1/20 0.59
▸ GSK3B P49841 1/20 0.59
▸ RARB P10826 1/20 0.59
▸ TBXAS1 P24557 1/20 0.59
▸ SLC6A3 Q01959 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ XBP1 P17861 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TOP2A P11388 12/20 0.52
▸ TOP2B Q02880 10/20 0.52

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 SCHEMBL8137978 0.99 KMT2A (0.77) KMT2AEPHA2FLT4GSK3BRARB
Tusofloxacine SCHEMBL29741384 0.88 KMT2A (0.82) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL9323984 0.88 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL34355 0.88 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL29383684 0.88 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL34354 0.88 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL19149806 0.87 KMT2A (0.98) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL3754459 0.87 KMT2A (0.98) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL9691106 0.87 KMT2A (0.98) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL28308419 0.87 KMT2A (0.98) KMT2AEPHA2FLT4GSK3BRARB

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
EP-0713487-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 1996-05-29 — — EP 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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