SCHEMBL17399987

SCHEMBL17399987

CCCCN1C(=O)NC(Cc2c[nH]c3c(Cl)cccc23)C1=O

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.72
TNF P01375 9/20 0.66
RIPK2 O43353 1/20 0.52
RIPK3 Q9Y572 1/20 0.52
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL860004 0.89 RIPK1 (0.74) RIPK1TNFRIPK2KMT2AL3MBTL1
SCHEMBL20053036 0.89 RIPK1 (0.74) RIPK1TNFRIPK2KMT2AL3MBTL1
SCHEMBL17471693 0.87 RIPK1 (0.71) RIPK1TNFRIPK2RIPK3KMT2A
SCHEMBL17830325 0.86 TNF (0.66) RIPK1TNFRIPK2RIPK3KMT2A
SCHEMBL17471746 0.85 RIPK1 (0.69) RIPK1TNFRIPK2RIPK3KMT2A
SCHEMBL17830343 0.85 RIPK1 (0.62) RIPK1TNFRIPK2RIPK3KMT2A
SCHEMBL860317 0.84 RIPK1 (1.00) RIPK1TNFRIPK2RIPK3KMT2A
SCHEMBL859956 0.84 RIPK1 (1.00) RIPK1TNFRIPK2RIPK3KMT2A
SCHEMBL859928 0.84 RIPK1 (1.00) RIPK1TNFRIPK2RIPK3KMT2A
SCHEMBL29638037 0.84 RIPK1 (1.00) RIPK1TNFRIPK2RIPK3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081214-A2 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-10-19 EP disclosed
EP-2384753-B1 Hydantoin derivatives as inhibitors of cellular necrosis BRIGHAM & WOMENS HOSPITAL (US) 2016-01-06 EP disclosed