SCHEMBL24865459

SCHEMBL24865459

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.46
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
CNR2 P34972 1/20 0.37
TP53 P04637 2/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FGFR1 P11362 2/20 0.35
SRC P12931 2/20 0.35
MAPK8 P45983 1/20 0.35
HPGD P15428 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
SCHEMBL30885111 1.00 BCL6 (0.46) BCL6MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL24865299 0.93 BCL6 (0.50) BCL6ALDH1A1SMN1; SMN2GAACNR2
SCHEMBL31123270 0.93 BCL6 (0.50) BCL6ALDH1A1SMN1; SMN2GAACNR2
SCHEMBL24865669 0.88 BCL6 (0.42) BCL6MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL30336544 0.88 BCL6 (0.42) BCL6MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL24865687 0.86 BCL6 (0.41) BCL6MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL29208996 0.86 BCL6 (0.41) BCL6MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL24865749 0.84 BCL6 (0.39) BCL6MAPTCNR2KDM4EMAPK8
SCHEMBL24865678 0.82 BCL6 (0.40) BCL6MAPTSMN1; SMN2POLBCNR2
SCHEMBL31123319 0.82 BCL6 (0.40) BCL6MAPTSMN1; SMN2POLBCNR2

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