SCHEMBL27780944

SCHEMBL27780944

Cc1cc(N(N)C(=O)OC(C)(C)C)no1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
S1PR3 Q99500 1/20 0.33
ALDH1A1 P00352 2/20 0.33
EGFR P00533 1/20 0.33
HTT P42858 2/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2174281 0.83 PKM (0.36) PKMNPC1RAB9ACYP2C9CYP2C19
SCHEMBL28281023 0.74 TRPM8 (0.32)
SCHEMBL20252572 0.72 SCN8A (0.34) NPC1RAB9ACYP2C9CYP2C19NPSR1
SCHEMBL28781892 0.71 MEN1 (0.34) MAPTPOLBALDH1A1KMT2A
SCHEMBL28950613 0.70 NPC1 (0.49) PKMNPC1RAB9ACYP2C9CYP2C19
SCHEMBL3804334 0.69 GRM5 (0.33) KMT2A
SCHEMBL28337730 0.68 FAAH (0.34) ALDH1A1
SCHEMBL27838787 0.68 POLB (0.38) NPC1RAB9AMAPTPOLBGAA
SCHEMBL28335538 0.68 PAX8 (0.32)
SCHEMBL8126885 0.68 POLB (0.47) NPC1RAB9ANPSR1MAPTPOLB

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
CN-101720325-B Antimicrobial ortho-fluorophenyl oxazolidinones for treatment of bacterial infections MICURX PHARMACEUTICALS INC 2013-04-24 CN disclosed
CN-101720325-A Antimicrobial ortho-fluorophenyl oxazolidinones for treatment of bacterial infections MICURX PHARMACEUTICALS INC 2010-06-02 CN disclosed