SCHEMBL9433221

SCHEMBL9433221

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 10/20 0.54
KDM4E B2RXH2 9/20 0.54
HPGD P15428 7/20 0.54
HSD17B10 Q99714 6/20 0.54
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
DRD3 P35462 1/20 0.48
MAPT P10636 1/20 0.45
HTT P42858 3/20 0.45
TSHR P16473 2/20 0.45
BRD4 O60885 1/20 0.45
CYP2J2 P51589 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9046336 0.90 LMNA (0.47) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9433406 0.88 LMNA (0.62) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9043027 0.85 LMNA (0.80) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9046458 0.84 LMNA (0.66) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9045932 0.83 ALDH1A1 (0.65) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9046329 0.82 LMNA (0.59) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9047446 0.82 LMNA (0.63) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9046436 0.81 ALDH1A1 (0.78) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9434537 0.81 LMNA (0.62) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL10884454 0.81 KDM4E (0.70) LMNAALDH1A1KDM4EHPGDHSD17B10

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
US-5300643-A Viricides BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5217972-A QUINOLONECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1993-06-08 US disclosed