SCHEMBL24865677

SCHEMBL24865677

CC1CCN(c2c(F)cc(Nc3ccc4c(c3)n(C)c(=O)n4C)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 2/20 0.41
BRD1 O95696 2/20 0.41
BRPF1 P55201 2/20 0.41
GAA P10253 1/20 0.41
TRIM24 O15164 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
BCL6 P41182 2/20 0.38
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37

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
SCHEMBL30336846 1.00 SMN1; SMN2 (0.41) SMN1; SMN2TP53ALDH1A1HSD17B10PKM
SCHEMBL24865630 0.88 GAA (0.46) SMN1; SMN2TP53ALDH1A1HSD17B10PKM
SCHEMBL30336382 0.88 GAA (0.46) SMN1; SMN2TP53ALDH1A1HSD17B10PKM
SCHEMBL30336497 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TP53ALDH1A1HSD17B10GAA
SCHEMBL24865209 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TP53ALDH1A1HSD17B10GAA
SCHEMBL24865479 0.81 BCL6 (0.44) SMN1; SMN2TP53ALDH1A1HSD17B10PKM
SCHEMBL30336503 0.80 ALDH1A1 (0.48) SMN1; SMN2TP53ALDH1A1HSD17B10GAA
SCHEMBL24865649 0.80 ALDH1A1 (0.48) SMN1; SMN2TP53ALDH1A1HSD17B10GAA
SCHEMBL24865509 0.80 SMN1; SMN2 (0.42) SMN1; SMN2TP53ALDH1A1HSD17B10PKM
SCHEMBL24865579 0.79 ALDH1A1 (0.45) SMN1; SMN2TP53ALDH1A1HSD17B10PKM

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