SCHEMBL30096554

SCHEMBL30096554

O=C(Cn1cnc2ccccc21)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 7/20 0.77
CRACR2A Q9BSW2 10/20 0.64
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL1670240 1.00 ORAI1 (0.77) ORAI1CRACR2ASMN1; SMN2HTTLMNA
SCHEMBL1889737 0.87 ORAI1 (1.00) ORAI1CRACR2ASMN1; SMN2HTTLMNA
SCHEMBL12661309 0.86 ORAI1 (0.81) ORAI1CRACR2ASMN1; SMN2HTTLMNA
SCHEMBL1668577 0.86 ORAI1 (1.00) ORAI1CRACR2A
SCHEMBL1668844 0.85 ORAI1 (1.00) ORAI1CRACR2A
SCHEMBL31174912 0.83 ORAI1 (0.91) ORAI1CRACR2ASMN1; SMN2HTTLMNA
SCHEMBL1667864 0.80 ORAI1 (0.60) ORAI1CRACR2A
SCHEMBL1668146 0.79 RXFP1 (0.59) ORAI1CRACR2A
SCHEMBL30096524 0.79 ORAI1 (0.71) ORAI1CRACR2A
SCHEMBL1669977 0.79 ORAI1 (0.71) ORAI1CRACR2A

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 3 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
WO-2023141523-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS CALCIMEDICA, INC. (US) 2023-07-27 WO 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