SCHEMBL24865669

SCHEMBL24865669

Cn1c(=N)n(C)c2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.42
CNR2 P34972 1/20 0.35
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.33
FYN P06241 1/20 0.32
EGFR P00533 1/20 0.32
MAPT P10636 5/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 2/20 0.32
NR4A1 P22736 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSC P53634 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
LMNA P02545 1/20 0.31
ADRA2A P08913 2/20 0.31

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
SCHEMBL30336544 1.00 BCL6 (0.42) BCL6CNR2GAASMN1; SMN2BRD4
SCHEMBL24865459 0.88 BCL6 (0.46) BCL6CNR2GAASMN1; SMN2MAPT
SCHEMBL30885111 0.88 BCL6 (0.46) BCL6CNR2GAASMN1; SMN2MAPT
SCHEMBL24865299 0.88 BCL6 (0.50) BCL6CNR2GAASMN1; SMN2ALDH1A1
SCHEMBL31123270 0.88 BCL6 (0.50) BCL6CNR2GAASMN1; SMN2ALDH1A1
SCHEMBL24865687 0.86 BCL6 (0.41) BCL6CNR2GAASMN1; SMN2FYN
SCHEMBL29208996 0.86 BCL6 (0.41) BCL6CNR2GAASMN1; SMN2FYN
SCHEMBL30336115 0.85 SMN1; SMN2 (0.43) GAASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL24865638 0.85 SMN1; SMN2 (0.43) GAASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL24865755 0.79 EGFR (0.40) BCL6CNR2GAAEGFRMAPT

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