SCHEMBL31517751

SCHEMBL31517751

Clc1cc(OCc2ccccc2)c2c(n1)CCCS2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
PLAU P00749 1/20 0.38
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER1 P34995 4/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PDE4B Q07343 2/20 0.35
PDE4D Q08499 2/20 0.35
SLC6A4 P31645 1/20 0.35
PRMT5 O14744 1/20 0.35
CCR5 P51681 1/20 0.35
GCK P35557 1/20 0.35

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
SCHEMBL26601781 1.00 AKT1 (0.38) AKT1AKT2PLAUSTAT3HTT
SCHEMBL26708517 0.76 ALOX5AP (0.34) STAT3HTTSMN1; SMN2PTGER1PDE4B
SCHEMBL31747909 0.76 ALOX5AP (0.34) STAT3HTTSMN1; SMN2PTGER1PDE4B
SCHEMBL26708700 0.74 ALOX5AP (0.36) STAT3HTTSMN1; SMN2GCK
SCHEMBL9878241 0.72 TSHR (0.38) SMN1; SMN2PDE4BPDE4D
SCHEMBL31517839 0.71 PDK1 (0.39) AKT1AKT2STAT3HTTSMN1; SMN2
SCHEMBL26601795 0.70 TNKS (0.34) SMN1; SMN2PDE4BPDE4D
SCHEMBL31517844 0.68 CHRNA7 (0.51) GAASLC6A4
SCHEMBL26607243 0.68 SMN1; SMN2 (0.51) STAT3HTTSMN1; SMN2
SCHEMBL9878787 0.68 PDE4B (0.38) HTTSMN1; SMN2PDE4BPDE4D

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-2025090480-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-05-01 WO disclosed