SCHEMBL9088063

SCHEMBL9088063

CCOC=C(C(=O)OCC)C(=O)c1c(Cl)nc(Cl)c(F)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
NPSR1 Q6W5P4 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 1/20 0.35
GLO1 Q04760 1/20 0.33
CYP2D6 P10635 3/20 0.32
CYP3A4 P08684 2/20 0.32
ATM Q13315 1/20 0.32
MAPK1 P28482 2/20 0.31
GAA P10253 2/20 0.31
DHODH Q02127 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ABCB1 P08183 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9088057 1.00 MAPT (0.35) MAPTNPSR1MEN1KMT2ACYP1A2
SCHEMBL5780531 0.89
SCHEMBL5780529 0.89
SCHEMBL5780538 0.89
SCHEMBL2095792 0.88 NPSR1 (0.34) MAPTNPSR1MEN1KMT2ACYP1A2
SCHEMBL10441067 0.88 NPSR1 (0.34) MAPTNPSR1MEN1KMT2ACYP1A2
SCHEMBL10441066 0.88 NPSR1 (0.34) MAPTNPSR1MEN1KMT2ACYP1A2
SCHEMBL8110602 0.82 NPSR1 (0.37) MAPTNPSR1MEN1KMT2ACYP1A2
SCHEMBL8110600 0.82 NPSR1 (0.37) MAPTNPSR1MEN1KMT2ACYP1A2
SCHEMBL8801560 0.81 NPSR1 (0.39) MAPTNPSR1MEN1KMT2ACYP1A2

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-5585491-A Antibacterial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-12-17 US disclosed
EP-0544981-A2 Naphthyridone carboxylic acid derivatives and antibacterial compositions containing them WARNER-LAMBERT COMPANY (US) 1993-06-09 EP disclosed