SCHEMBL30807271

SCHEMBL30807271

C=C(NC(=O)c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1)C(=O)NC(=C)C(=O)OC.CCOC(=O)c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
OGA O60502 1/20 0.40
ABCB1 P08183 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
ACKR3 P25106 1/20 0.38
ATM Q13315 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL27150696 0.92 ACKR3 (0.41) LMNAMAPTSMN1; SMN2TSHRNPSR1
SCHEMBL1118133 0.85 LMNA (0.52) LMNAMAPTSMN1; SMN2TSHRNPSR1
SCHEMBL5233223 0.81 LMNA (0.48) LMNAMAPTSMN1; SMN2TSHRNPSR1
SCHEMBL30846066 0.79 CKS1B (0.40) LMNAOGAABCB1ACKR3MEN1
SCHEMBL30807303 0.79 MAP4K4 (0.40) OGAHRH3ACKR3NR1H2NR1H3
SCHEMBL30807235 0.79 MAP4K4 (0.40) OGAHRH3ACKR3NR1H2NR1H3
SCHEMBL15349119 0.78 HRH3 (0.58) LMNAMAPTSMN1; SMN2TSHRNPSR1
SCHEMBL27147155 0.78 HRH3 (0.35) LMNAMAPTSMN1; SMN2MAPK1OGA
SCHEMBL30807243 0.78 HRH3 (0.32) HRH3ACKR3
SCHEMBL27152090 0.77 ACACB (0.38) LMNAMAPTSMN1; SMN2TSHRNPSR1

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
EP-4577211-A2 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER Wake Forest University Health Sciences (US) 2025-07-02 EP disclosed
WO-2024044744-A2 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2024-02-29 WO disclosed