SCHEMBL30908271

SCHEMBL30908271

CC(=O)N(Cc1ccc2ccc(NC(=O)OC(C)(C)C)nc2c1)c1ccccc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.36
PTPRA P18433 1/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
SORT1 Q99523 1/20 0.35
AKT1 P31749 2/20 0.35
SCN9A Q15858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TSPO P30536 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL30908442 0.93 AURKA (0.37) TOP2ATOP2BAKT1SCN9ASMN1; SMN2
SCHEMBL30908483 0.93 TSPO (0.39) TOP2ATOP2BAKT1SCN9ASMN1; SMN2
SCHEMBL30908391 0.88 TOP2A (0.35) PTPN1TOP2ATOP2BAKT1SCN9A
SCHEMBL30908158 0.87 METAP1 (0.39) TOP2ATOP2BAKT1SCN9A
SCHEMBL30908503 0.86 NPC1 (0.35) TOP2ATOP2BSCN9ANPC1RAB9A
SCHEMBL30908423 0.86 SCN9A (0.41) TOP2ATOP2BAKT1SCN9AALDH1A1
SCHEMBL30908418 0.86 SCN9A (0.41) TOP2ATOP2BAKT1SCN9AALDH1A1
SCHEMBL30908405 0.83 HDAC1 (0.35) TOP2ATOP2BSCN9A
SCHEMBL30908217 0.83 GSK3B (0.37) TOP2ATOP2BSCN9AACSS2
SCHEMBL30908222 0.83 METAP1 (0.38) TOP2ATOP2BSCN9ASMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed