SCHEMBL8137478

SCHEMBL8137478

O=C(O)Oc1cn(-c2ccc(F)c(F)c2)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.39
CAPN1 P07384 1/20 0.38
POLB P06746 2/20 0.37
HSP90AA1 P07900 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TSHR P16473 1/20 0.36
MAPK8 P45983 1/20 0.34

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
SCHEMBL9046549 0.90 LMNA (0.39) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL8130741 0.90 LMNA (0.51) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL6211765 0.89 LMNA (0.42) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL9045182 0.86 NPC1 (0.40) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL8137475 0.84 ALDH1A1 (0.61) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL10911343 0.84 ALDH1A1 (0.54) ALDH1A1HTTLMNAKDM4EHPGD
SCHEMBL9046429 0.82 KMT2A (0.36) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL9055165 0.81 LMNA (0.40) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL6214250 0.80 LMNA (0.45) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL8130462 0.80 LMNA (0.47) ALDH1A1LMNAKMT2AMEN1KDM4E

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-0401623-B1 Process for the preparation of 7-(3-amino- and 3-aminomethyl-1-pyrrolidinyl)-3-quinolinonecarboxylic and -naphthyridinonecarboxylic acids BAYER AG (DE) 2000-01-26 EP disclosed
EP-0422485-B1 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1996-04-03 EP disclosed
EP-0422485-A2 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1991-04-17 EP disclosed
EP-0401623-A1 Process for the preparation of 7-(3-amino- and 3-aminomethyl-1-pyrrolidinyl)-3-quinolinonecarboxylic and -naphthyridinonecarboxylic acids BAYER AG (DE) 1990-12-12 EP disclosed