SCHEMBL9046336

SCHEMBL9046336

CC(C#N)N1CCN(c2ccc(-n3cc(OC(=O)O)c(=O)c4cc(F)c(N5CCN(C(C)C#N)CC5)cc43)c(F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 9/20 0.42
ALDH1A1 P00352 8/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 4/20 0.42
POLB P06746 2/20 0.39
DRD3 P35462 1/20 0.39
HSP90AA1 P07900 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
THRB P10828 2/20 0.38
MAPT P10636 1/20 0.37
BRD4 O60885 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CYP2J2 P51589 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL9433221 0.90 LMNA (0.59) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9043950 0.89 LMNA (0.49) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9043035 0.86 KMT2A (0.62) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9046461 0.86 LMNA (0.52) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL10884458 0.83 KDM4E (0.54) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9047457 0.82 LMNA (0.49) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9433406 0.78 LMNA (0.62) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9046854 0.76 LMNA (0.45) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9046101 0.76 ALDH1A1 (0.47) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL7819707 0.76 MEN1 (0.78) LMNAMEN1KMT2AKDM4EALDH1A1

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 2 patents. 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
EP-0422485-A2 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1991-04-17 EP disclosed