SCHEMBL30949342

SCHEMBL30949342

O=C(O)COc1ccc(I)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
PTPN7 P35236 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MCL1 Q07820 1/20 0.44
AURKA O14965 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL213877 0.86 PTPN7 (0.51) PTPN7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13475388 0.82 PARP1 (0.47) PARP1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL11188562 0.82 MCL1 (0.59) PTPN7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL17009709 0.82 MAPT (0.51) PTPN7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL31415219 0.82 MAPT (0.51) PTPN7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5030823 0.81 PTPN7 (0.46) PTPN7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5276459 0.79 NPC1 (0.64) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL126050 0.79 PTPN7 (0.47) PTPN7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL20982738 0.79 MAPT (0.66) PTPN7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6968807 0.79 RAPGEF3 (0.53) PTPN7MEN1KMT2ASMN1; SMN2MAPT

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-4651717-A1 COMPOUNDS FOR INCREASING FROST TOLERANCE IN PLANTS VIB VZW (BE) 2025-11-26 EP disclosed
WO-2024153736-A1 COMPOUNDS FOR INCREASING FROST TOLERANCE IN PLANTS VIB VZW (BE) 2024-07-25 WO disclosed