SCHEMBL9232091

SCHEMBL9232091

CCOC(=O)c1c2n(c3cc(N4CCN(C)CC4)c(F)cc3c1=O)C(CF)S2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 7/20 0.48
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
RAD52 P43351 1/20 0.47
DRD3 P35462 1/20 0.46
GLA P06280 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL9525435 0.94 KDM4E (0.49) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9231555 0.93 KDM4E (0.48) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9228616 0.93 ALDH1A1 (0.49) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9233927 0.92 KDM4E (0.48) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9234852 0.91 MEN1 (0.47) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9229211 0.91 KDM4E (0.46) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9232592 0.90 ALDH1A1 (0.47) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9234728 0.90 ALDH1A1 (0.57) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9233796 0.90 MEN1 (0.48) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL9236977 0.90 KDM4E (0.42) LMNAKDM4EALDH1A1HPGDHSD17B10

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
EP-0675127-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-10-04 EP disclosed