SCHEMBL23716192

SCHEMBL23716192

CCc1ccc(C/C(N)=C(C)/C=C(\C)Br)cc1F

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL23716188 0.82 ANO1 (0.33) MAPTMAPK1
SCHEMBL23716075 0.74 IDO1 (0.40) LMNA
SCHEMBL23715875 0.73 IDO1 (0.37) LMNA
SCHEMBL23716232 0.72 IDO1 (0.36) LMNAHTT
SCHEMBL23716108 0.70 ANO1 (0.34) MAPTMAPK1
SCHEMBL23716341 0.69 ANO1 (0.33) MAPTMAPK1
SCHEMBL10240551 0.68 TRPA1 (0.43) BACE1KDM4CKDM4ELMNATP53
SCHEMBL13226798 0.67 CYP4F2 (0.37) BACE1KDM4CKDM4ELMNATP53
SCHEMBL1695325 0.67 CSNK2A1 (0.45) BACE1KDM4C
SCHEMBL14491132 0.67 CYP4F2 (0.47) BACE1KDM4CKDM4ELMNATP53

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