SCHEMBL24865670

SCHEMBL24865670

Cn1c(=O)n(C)c2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3C#N)ccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 12/20 0.45
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
PRKDC P78527 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL30336473 1.00 BCL6 (0.45) BCL6DRD2DRD3KCNH2SMN1; SMN2
SCHEMBL24865774 0.85 BCL6 (0.45) BCL6SMN1; SMN2GAATP53
SCHEMBL31123256 0.85 BCL6 (0.45) BCL6SMN1; SMN2GAATP53
SCHEMBL31123270 0.84 BCL6 (0.50) BCL6SMN1; SMN2GAAALDH1A1TP53
SCHEMBL24865299 0.84 BCL6 (0.50) BCL6SMN1; SMN2GAAALDH1A1TP53
SCHEMBL24865459 0.78 BCL6 (0.46) BCL6SMN1; SMN2GAAALDH1A1TP53
SCHEMBL30885111 0.78 BCL6 (0.46) BCL6SMN1; SMN2GAAALDH1A1TP53
SCHEMBL24865789 0.77 BCL6 (0.47) BCL6SMN1; SMN2GAAALDH1A1TP53
SCHEMBL30336281 0.77 BCL6 (0.47) BCL6SMN1; SMN2GAAALDH1A1TP53
SCHEMBL24865620 0.76 DRD2 (0.38) DRD2DRD3KCNH2SMN1; SMN2NR1H2

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
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed