SCHEMBL24865387

SCHEMBL24865387

CN(C)c1cccc(Nc2ccc3c(c2)n(C)c(=O)n3C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TRIM24 O15164 1/20 0.47
BCL6 P41182 3/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 3/20 0.44
BRPF1 P55201 2/20 0.43
BRD4 O60885 1/20 0.43
XIAP P98170 1/20 0.43
BIRC2 Q13490 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
KDM1A O60341 2/20 0.42
RCOR1 Q9UKL0 1/20 0.42

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
SCHEMBL30336657 1.00 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TP53HSD17B10TRIM24
SCHEMBL24865703 0.88 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TP53HSD17B10TRIM24
SCHEMBL30336293 0.88 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TP53HSD17B10TRIM24
SCHEMBL30336923 0.87 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TP53HSD17B10TRIM24
SCHEMBL24865206 0.87 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TP53HSD17B10TRIM24
SCHEMBL24865481 0.82 TRIM24 (0.61) SMN1; SMN2ALDH1A1TP53HSD17B10TRIM24
SCHEMBL3030672 0.78 KDM1A (0.59) SMN1; SMN2ALDH1A1GAAJAK1JAK3
SCHEMBL30336496 0.74 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TP53HSD17B10TRIM24
SCHEMBL24865219 0.74 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TP53HSD17B10TRIM24
SCHEMBL28557487 0.72 KDM1A (0.63) ALDH1A1HSD17B10LMNAGAAKDM1A

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