SCHEMBL30096551

SCHEMBL30096551

Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4ccccc4F)nc3)n2)oc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.51
ALOX5 P09917 1/20 0.45
TBXAS1 P24557 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
IL2 P60568 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
DYRK1A Q13627 3/20 0.39
GSK3B P49841 2/20 0.39
WNT1 P04628 1/20 0.39
STIM1 Q13586 3/20 0.39

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
SCHEMBL15529498 1.00 EPHX2 (0.51) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL15529085 0.94 EPHX2 (0.48) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL30096542 0.94 EPHX2 (0.48) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL16650186 0.92 EPHX2 (0.51) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL30096615 0.92 EPHX2 (0.51) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL16650521 0.91 EPHX2 (0.47) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL30096604 0.91 EPHX2 (0.51) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL15529721 0.91 EPHX2 (0.51) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL30096588 0.91 EPHX2 (0.47) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL15528765 0.91 IL2 (0.55) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4465988-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS Calcimedica, Inc. (US) 2024-11-27 EP disclosed
CN-118871110-A Methods and compositions for treating inflammatory lesions of the lung 钙医学公司 2024-10-29 CN disclosed
WO-2023141523-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS CALCIMEDICA, INC. (US) 2023-07-27 WO disclosed
CN-115835878-A Methods and compositions for treating acute lung injury and acute respiratory distress syndrome 钙医学公司 2023-03-21 CN disclosed
EP-4121089-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME Calcimedica, Inc. (US) 2023-01-25 EP disclosed