SCHEMBL9045941

SCHEMBL9045941

O=C(O)Oc1cn(-c2cccc(C3CCNCC3)c2F)c2cc(N3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 4/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ TOP2A P11388 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TOP2B Q02880 1/20 0.45
▸ BRD4 O60885 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP2J2 P51589 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ THRB P10828 2/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL9046442 0.84 ALDH1A1 (0.56) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9045062 0.83 ALDH1A1 (0.58) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9043926 0.77 HPGD (0.48) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9044502 0.75 LMNA (0.40) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9047805 0.73 ALDH1A1 (0.72) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1857925 0.73 KDM4E (0.76) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9044293 0.73 ALDH1A1 (0.66) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9808640 0.72 KDM4E (0.74) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9433661 0.72 ALDH1A1 (0.74) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9370629 0.72 KDM4E (0.61) LMNAKDM4EALDH1A1HPGDHSD17B10

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-0422485-B1 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1996-04-03 — — EP disclosed
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