SCHEMBL31361616

SCHEMBL31361616

CS(=O)(=O)c1ncc(C(=O)Nc2c(Cl)cccc2Cl)c(OC2CC(OCc3ccccc3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
GFER P55789 2/20 0.40
NPC1 O15118 6/20 0.38
TP53 P04637 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
RAB9A P51151 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 6/20 0.38
TLR9 Q9NR96 4/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 2/20 0.36
MITF O75030 2/20 0.36
PAX8 Q06710 2/20 0.36
S1PR4 O95977 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL31361692 0.85 TLR9 (0.42) NPC1TP53SMN1; SMN2RAB9AKMT2A
SCHEMBL31361649 0.85 RXFP1 (0.44) ACACBKMT2AMAOAMAOBMAPT
SCHEMBL31361647 0.84 ACACB (0.41) ACACBMAOAMAOBP2RX7
SCHEMBL31361601 0.75 FLT4 (0.47)
SCHEMBL31361585 0.72 PDE4B (0.46) NPC1TP53KMT2AMAPTMEN1
SCHEMBL30962741 0.71 PDE4A (0.43) MAPT
SCHEMBL31361704 0.69 PDE4D (0.41)
SCHEMBL31361629 0.69 KMT2A (0.47) NPC1KMT2AMAPTMEN1LMNA
SCHEMBL29037763 0.68 TP53 (0.69) GFERNPC1TP53SMN1; SMN2RAB9A
SCHEMBL24796636 0.68 ACACB (0.48) ACACBSMN1; SMN2MAOBMAPT

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