SCHEMBL7475038

SCHEMBL7475038

CC(=O)NC1ON=C(c2ccc(NN)c(F)c2)C1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.34
KIF11 P52732 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
JAK1 P23458 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL7476122 0.87 MIF (0.38) MIFHDAC6
SCHEMBL7475327 0.81 CNR1 (0.33) MIFMEN1KMT2APDE3BPDE3A
SCHEMBL7471554 0.75 GRIA1 (0.32) MIF
SCHEMBL7471004 0.75 MIF (0.31) MIFPDE3BPDE3A
SCHEMBL7475040 0.68 MIF (0.55) MIFHDAC6
SCHEMBL31117000 0.63 PDE3B (0.61) PDE3BPDE3A
SCHEMBL16157204 0.63 PDE3B (0.61) PDE3BPDE3A
SCHEMBL9548375 0.58
SCHEMBL16157009 0.58 PDE3B (0.76) PDE3BPDE3A
Oxalic Acid SCHEMBL20984672 0.57 HTT (0.51) CA1CA2CA9HDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054874-B1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS UPJOHN CO (US) 2002-08-28 EP disclosed
EP-1054874-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 2000-11-29 EP disclosed
US-6069141-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-05-30 US disclosed
WO-1999041244-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1999-08-19 WO disclosed