SCHEMBL23715975

SCHEMBL23715975

NC(=O)C(NNOc1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.42
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
PYGL P06737 9/20 0.39
FLT3 P36888 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DAO P14920 1/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL23716193 0.75 OGG1 (0.44) KMT2A
SCHEMBL23716330 0.73 MDM2 (0.38) MEN1NPC1KMT2A
SCHEMBL23716135 0.70 KMT2A (0.37) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL23715916 0.68 OGG1 (0.44)
SCHEMBL3412727 0.67 F7 (0.58) SIRT1F7F3PYGLFLT3
SCHEMBL23716111 0.66 OGG1 (0.45)
SCHEMBL764543 0.63 F7 (0.72) SIRT1F7F3PYGLFLT3
SCHEMBL28037962 0.63 F7 (0.49) SIRT1F7F3PYGLFLT3
SCHEMBL23716167 0.63 FFAR2 (0.47) NPC1
SCHEMBL18886853 0.62 KMT2A (0.54) SIRT1F7F3PYGLFLT3

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
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed