SCHEMBL20734878

SCHEMBL20734878

O=C(CI)OCn1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
CYP1A2 P05177 2/20 0.50
GRIA1 P42261 2/20 0.50
GRIA2 P42262 2/20 0.50
GRIA4 P48058 2/20 0.50
GRIK5 Q16478 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GRIA3 P42263 1/20 0.50
KMT2A Q03164 3/20 0.48
CA12 O43570 8/20 0.44
CA9 Q16790 8/20 0.44
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK3 P27361 1/20 0.36
ASAH1 Q13510 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
BLM P54132 1/20 0.35

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
SCHEMBL24360209 0.86 LMNA (0.56) LMNACYP1A2GRIA1GRIA2GRIA4
SCHEMBL11396051 0.85 LMNA (0.62) LMNACYP1A2GRIA1GRIA2GRIA4
SCHEMBL17278260 0.85 LMNA (0.55) LMNACYP1A2GRIA1GRIA2GRIA4
SCHEMBL26911561 0.84 LMNA (0.56) LMNACYP1A2GRIA1GRIA2GRIA4
SCHEMBL26911565 0.83 KDM4E (0.57) LMNACYP1A2GRIA1GRIA2GRIA4
SCHEMBL5479694 0.82 LMNA (0.67) LMNACYP1A2GRIA1GRIA2GRIA4
SCHEMBL15760447 0.82 LMNA (0.59) LMNACYP1A2GRIA1GRIA2GRIA4
SCHEMBL11398926 0.81 LMNA (0.57) LMNACYP1A2GRIA1GRIA2GRIA4
SCHEMBL18913377 0.81 LMNA (0.54) LMNACYP1A2GRIA1GRIA2GRIA4
SCHEMBL11399951 0.80 LMNA (0.64) LMNACYP1A2GRIA1GRIA2GRIA4

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
WO-2019032640-A1 INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/MTOR AND MEK/PI3K/MTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-14 WO disclosed