SCHEMBL9543963

SCHEMBL9543963

COCOC(=O)c1c(F)n(C2CC2)c2cc(N3CC4=C(C3)C(NC(=O)OC(C)(C)C)CC4)c(F)cc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.32
ALDH1A1 P00352 5/20 0.32
HPGD P15428 4/20 0.32
HSD17B10 Q99714 4/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
GLA P06280 1/20 0.30
PRKD3 O94806 1/20 0.30
PIM1 P11309 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
IRAK1 P51617 1/20 0.30
RPS6KA3 P51812 1/20 0.30
DYRK1A Q13627 1/20 0.30
PIM3 Q86V86 1/20 0.30
CSNK1G3 Q9Y6M4 1/20 0.30
CYP1A2 P05177 1/20 0.30
TOP2A P11388 1/20 0.30
CYP2C9 P11712 1/20 0.30
TOP2B Q02880 1/20 0.30

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
SCHEMBL9534670 0.76 ADRB2 (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9541489 0.70 PRKD3 (0.45) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9536397 0.67 TOP2A (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7520825 0.66 PRKD3 (0.38) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9544012 0.64 PRKD3 (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9692459 0.64 LMNA (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9692453 0.64 LMNA (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9694019 0.64 LMNA (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9535689 0.63 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL2183665 0.62 KDM4E (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013090-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES AND PROCESSES FOR PREPARING SAME HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed