SCHEMBL9045932

SCHEMBL9045932

O=C(O)c1cn(-c2ccc(N3CCCCC3)cc2F)c2cc(N3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
KDM4E B2RXH2 8/20 0.65
POLB P06746 1/20 0.65
HSP90AA1 P07900 1/20 0.65
RXFP1 Q9HBX9 1/20 0.65
LMNA P02545 6/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HSD17B10 Q99714 6/20 0.63
HPGD P15428 6/20 0.63
DRD3 P35462 1/20 0.51
TSHR P16473 2/20 0.50
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.50
TOP2A P11388 1/20 0.50
CYP2C9 P11712 1/20 0.50
TOP2B Q02880 1/20 0.50
BRD4 O60885 1/20 0.50
CYP2J2 P51589 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL9046458 0.91 LMNA (0.66) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL9046436 0.90 ALDH1A1 (0.78) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL9043027 0.90 LMNA (0.80) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL9434537 0.90 LMNA (0.62) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
Hydrochloric Acid SCHEMBL9433655 0.89 ALDH1A1 (0.80) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL16518632 0.88 LMNA (0.81) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL9047446 0.86 LMNA (0.63) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL9043943 0.85 LMNA (0.62) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL9433406 0.85 LMNA (0.62) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL9433221 0.83 LMNA (0.59) ALDH1A1KDM4EPOLBHSP90AA1RXFP1

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