SCHEMBL24865299

SCHEMBL24865299

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 4/20 0.50
SMN1; SMN2 Q16637 5/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TRIM24 O15164 2/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37
CNR2 P34972 1/20 0.37
BRD1 O95696 2/20 0.36
BRPF1 P55201 2/20 0.36

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
SCHEMBL31123270 1.00 BCL6 (0.50) BCL6SMN1; SMN2GAAALDH1A1TP53
SCHEMBL24865459 0.93 BCL6 (0.46) BCL6SMN1; SMN2GAAALDH1A1TP53
SCHEMBL30885111 0.93 BCL6 (0.46) BCL6SMN1; SMN2GAAALDH1A1TP53
SCHEMBL24865669 0.88 BCL6 (0.42) BCL6SMN1; SMN2GAAALDH1A1TP53
SCHEMBL30336544 0.88 BCL6 (0.42) BCL6SMN1; SMN2GAAALDH1A1TP53
SCHEMBL24865656 0.88 SMN1; SMN2 (0.45) BCL6SMN1; SMN2GAAALDH1A1TP53
SCHEMBL29208996 0.86 BCL6 (0.41) BCL6SMN1; SMN2GAAALDH1A1LMNA
SCHEMBL24865687 0.86 BCL6 (0.41) BCL6SMN1; SMN2GAAALDH1A1LMNA
SCHEMBL24865769 0.86 BCL6 (0.49) BCL6SMN1; SMN2GAACNR2
SCHEMBL31123214 0.86 BCL6 (0.49) BCL6SMN1; SMN2GAACNR2

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