SCHEMBL23716138

SCHEMBL23716138

N=C(NC(O)C(NNOc1ccc(Br)cc1)c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
S1PR3 Q99500 8/20 0.34
S1PR4 O95977 4/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR2 P34972 1/20 0.31
HPGD P15428 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
FPR2 P25090 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL23716102 0.80 S1PR3 (0.40) S1PR3S1PR4SLC6A4CNR2
SCHEMBL23715998 0.77 S1PR3 (0.42) S1PR3S1PR4SLC6A4MEN1KMT2A
SCHEMBL23715847 0.76 S1PR3 (0.42) S1PR3S1PR4
SCHEMBL23716123 0.67 AOC3 (0.42) LMNAALDH1A1
SCHEMBL17664408 0.65 DPP4 (0.45) LMNAALDH1A1S1PR3S1PR4KMT2A
SCHEMBL23715928 0.64 IDO1 (0.39) SMN1; SMN2ALDH1A1KMT2AFNTAFNTB
SCHEMBL20428535 0.62 MEN1 (0.46) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23715855 0.62 GAA (0.40) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17664411 0.62 LMNA (0.49) LMNASMN1; SMN2ALDH1A1S1PR3S1PR4
SCHEMBL17663900 0.62 S1PR3 (0.60) LMNASMN1; SMN2ALDH1A1S1PR3S1PR4

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