SCHEMBL31361647

SCHEMBL31361647

C[S+]([O-])c1ncc(C(=O)Nc2c(Cl)cccc2Cl)c(OC2CC(OCc3ccccc3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
P2RX7 Q99572 5/20 0.36
PDE5A O76074 1/20 0.35
POLB P06746 1/20 0.34
DHODH Q02127 1/20 0.34
BACE1 P56817 2/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
EPHB3 P54753 1/20 0.33
LRRK2 Q5S007 1/20 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
SCHEMBL31361704 0.86 PDE4D (0.41) POLBDHODHPDE4APDE4BPDE4C
SCHEMBL31361649 0.85 RXFP1 (0.44) ACACBMAOAMAOBPOLBPDE4B
SCHEMBL31361616 0.84 ACACB (0.41) ACACBMAOAMAOBP2RX7
SCHEMBL31361601 0.75 FLT4 (0.47)
SCHEMBL31361585 0.72 PDE4B (0.46) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL30962741 0.71 PDE4A (0.43) POLBDHODHPDE4APDE4BPDE4C
SCHEMBL31361629 0.69 KMT2A (0.47) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL31361692 0.68 TLR9 (0.42) POLBDHODHPDE4APDE4BPDE4C
SCHEMBL24796636 0.68 ACACB (0.48) ACACBMAOBBACE1
SCHEMBL31361688 0.68 RXFP1 (0.46) POLBPDE4APDE4BPDE4CPDE4D

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