SCHEMBL9527707

SCHEMBL9527707

CCOC(=O)c1cn(C2CC2)c2cc(N3CC(N)C4(C3)OCCO4)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 4/20 0.53
LMNA P02545 3/20 0.50
MAPT P10636 1/20 0.50
TOP2B Q02880 2/20 0.46
CYP1A2 P05177 1/20 0.46
TOP2A P11388 1/20 0.46
CYP2C9 P11712 1/20 0.46
ADRB2 P07550 1/20 0.45
KMT2A Q03164 2/20 0.42
PIK3CG P48736 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41

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
Hydrochloric Acid SCHEMBL9379655 0.87 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9528034 0.85 ADRB2 (0.54) KDM4EALDH1A1HPGDHSD17B10TOP2B
SCHEMBL9215383 0.81 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9734026 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9734023 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9638922 0.79 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL29576777 0.79 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8038539 0.79 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL29475791 0.79 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10LMNA
Ciprofloxacin Ethyl Ester SCHEMBL6779201 0.79 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562042-A1 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LABORATORIES (US) 1993-09-29 EP disclosed
US-5137892-A Bactericides ABBOTT LABORATORIES (US) 1992-08-11 US disclosed
WO-1992010191-A1 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LABORATORIES (US) 1992-06-25 WO disclosed