SCHEMBL31361692

SCHEMBL31361692

CS(=O)(=O)c1ncc(C(=O)Nc2c(Cl)cccc2Cl)c(OC2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 3/20 0.42
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MITF O75030 2/20 0.40
S1PR4 O95977 1/20 0.40
PKM P14618 1/20 0.40
PAX8 Q06710 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL31361616 0.85 ACACB (0.41) TLR9RAB9ANPC1MEN1KMT2A
SCHEMBL30962741 0.85 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL31361629 0.82 KMT2A (0.47) NPC1MEN1KMT2ALMNAPDE4B
SCHEMBL31361704 0.80 PDE4D (0.41) PDE4BPDE4APDE4CPDE4DEPHX2
SCHEMBL31361688 0.78 RXFP1 (0.46) NPC1MEN1KMT2ALMNAPDE4B
SCHEMBL31361672 0.78 PDE4A (0.43) LMNATP53PDE4BPDE4APDE4C
SCHEMBL31361675 0.76 DHODH (0.46) MEN1KMT2ALMNAPDE4BMAPT
SCHEMBL31361679 0.76 JAK1 (0.54) MAPK1JAK3
SCHEMBL31361635 0.75 JAK2 (0.42) DHODHLCKEGFRSRCJAK3
SCHEMBL29037763 0.75 TP53 (0.69) TLR9RAB9ANPC1MEN1KMT2A

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-2025017116-A1 PHARMACEUTICAL COMPOUNDS HAVING ACTIVITY AS WEE1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2025-01-23 WO disclosed