SCHEMBL24865602

SCHEMBL24865602

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
BCL6 P41182 8/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
LRRK2 Q5S007 1/20 0.37
PKM P14618 1/20 0.37
TRIM24 O15164 1/20 0.36
RAB9A P51151 1/20 0.36
NCOR2 Q9Y618 1/20 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
SCHEMBL31123224 1.00 SMN1; SMN2 (0.47) SMN1; SMN2GAATP53HSD17B10BCL6
SCHEMBL24865764 0.86 SMN1; SMN2 (0.46) SMN1; SMN2GAATP53HSD17B10BCL6
SCHEMBL24865642 0.85 BCL6 (0.47) SMN1; SMN2GAATP53HSD17B10BCL6
SCHEMBL24865760 0.85 SMN1; SMN2 (0.43) SMN1; SMN2GAATP53HSD17B10BCL6
SCHEMBL31123282 0.83 KDM4E (0.43) SMN1; SMN2TP53ALDH1A1LMNAPKM
SCHEMBL24865757 0.83 KDM4E (0.43) SMN1; SMN2TP53ALDH1A1LMNAPKM
SCHEMBL30336935 0.81 SMN1; SMN2 (0.49) SMN1; SMN2GAATP53HSD17B10BCL6
SCHEMBL24865236 0.81 SMN1; SMN2 (0.49) SMN1; SMN2GAATP53HSD17B10BCL6
SCHEMBL24865299 0.80 BCL6 (0.50) SMN1; SMN2GAATP53HSD17B10BCL6
SCHEMBL31123270 0.80 BCL6 (0.50) SMN1; SMN2GAATP53HSD17B10BCL6

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