SCHEMBL8921044

SCHEMBL8921044

CNn1c2cc(N3CCN(C)CC3)c(F)cc2c(=O)c2c(=O)[nH]sc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
RAD52 P43351 1/20 0.43
ALDH1A1 P00352 3/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.40

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
SCHEMBL9824152 0.83 DRD3 (0.50) GAARAD52ALDH1A1DRD3KDM4E
SCHEMBL607251 0.82
SCHEMBL9824075 0.81 KMT2A (0.52) GAARAD52ALDH1A1DRD3KDM4E
SCHEMBL609448 0.73 ALDH1A1 (0.52) ALDH1A1DRD3KDM4EHPGDLMNA
SCHEMBL2933050 0.73 KDM4E (0.48) ALDH1A1DRD3KDM4EHPGDLMNA
SCHEMBL625130 0.72
SCHEMBL605962 0.72 KDM4E (0.41) GAARAD52ALDH1A1DRD3KDM4E
SCHEMBL606017 0.72
SCHEMBL607489 0.71 KDM4E (0.55) ALDH1A1KDM4E
SCHEMBL608250 0.71

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
US-5672600-A Antimicrobial dithiocarbamoyl quinolones THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed
US-5387748-A Antimicrobial dithiocarbamoyl quinolones PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-02-07 US disclosed
WO-1990004591-A1 NOVEL ANTIMICROBIAL DITHIOCARBAMOYL QUINOLONES NORWICH EATON PHARMACEUTICALS, INC. (US) 1990-05-03 WO disclosed