SCHEMBL9733788

SCHEMBL9733788

O=C(O)c1cn(C2CC2)c2cc(N3CC[C@@H](S)C3)c(F)cc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.71
ALDH1A1 P00352 4/20 0.71
LMNA P02545 3/20 0.71
HPGD P15428 2/20 0.71
HSD17B10 Q99714 2/20 0.71
CYP1A2 P05177 1/20 0.71
TOP2A P11388 1/20 0.71
CYP2C9 P11712 1/20 0.71
TOP2B Q02880 1/20 0.71
MAPT P10636 1/20 0.67
PIK3CG P48736 7/20 0.58
PIK3CD O00329 5/20 0.58
PIK3R1 P27986 5/20 0.58
PIK3CA P42336 5/20 0.58
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HRH3 Q9Y5N1 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL9733782 1.00 KDM4E (0.71) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9735289 0.88 KDM4E (0.72) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9736411 0.88 KDM4E (0.72) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9734255 0.88 KDM4E (0.72) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5571992 0.88 ALDH1A1 (0.71) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5571931 0.88 ALDH1A1 (0.71) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5571927 0.88 ALDH1A1 (0.71) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10749491 0.87 KDM4E (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL8566915 0.87 ALDH1A1 (0.70) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL14159326 0.86 KDM4E (0.82) KDM4EALDH1A1LMNAHPGDHSD17B10

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-5153204-A Bactericides, animal growth promoters BAYER AKTIENGESELLSCHAFT (DE) 1992-10-06 US disclosed
US-4820716-A ANIMAL GROWTH REGULATORS, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed