SCHEMBL31404459

SCHEMBL31404459

O=C(O)c1cc(Br)cc2c(I)n[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 2/20 0.40
AKR1C4 P17516 1/20 0.40
DYRK1B Q9Y463 1/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 3/20 0.35
GLA P06280 2/20 0.35
RXFP1 Q9HBX9 5/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
DHODH Q02127 4/20 0.33
NPC1 O15118 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
PPARG P37231 3/20 0.33
NCOR2 Q9Y618 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL18130787 0.82 NR4A2 (0.43) HSD17B10ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL31404476 0.77 MAP2K4 (0.39) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL31404482 0.76 HCAR2 (0.39) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL14030589 0.75 ALDH1A1 (0.33) DYRK1BMEN1KMT2AALDH1A1MAPT
SCHEMBL26204533 0.74 CHEK1 (0.39) DYRK1B
SCHEMBL20487931 0.74 GSK3B (0.34) DYRK1BNPC1
SCHEMBL38664280 0.74 CHEK1 (0.39) DYRK1B
SCHEMBL38661124 0.73 PDPK1 (0.31)
SCHEMBL20488994 0.72 CHEK1 (0.32)
SCHEMBL20488776 0.72

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-2025045837-A1 PESTICIDALLY ACTIVE INDAZOLE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-03-06 WO disclosed