SCHEMBL31661860

SCHEMBL31661860

NC(=O)c1cc(Oc2ccc(OCCCN3CCCC3=O)cc2)n2cncc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
PDK2 Q15119 3/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
EGFR P00533 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SCN9A Q15858 1/20 0.36
ITK Q08881 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KDM4C Q9H3R0 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
SCHEMBL31661915 0.89 CCNC (0.41) POLBSMN1; SMN2CCNCCDK8PDK2
SCHEMBL31662149 0.87 PRKAB2 (0.44) PDK2ALDH1A1KDM4EHRH3OPRM1
SCHEMBL31661965 0.86 SCN9A (0.39) PDK2HRH3SCN9AOPRM1
SCHEMBL31662147 0.85 CYP11B2 (0.39) PDK2HRH3SCN9AOPRM1OPRD1
SCHEMBL31662459 0.82 TBXAS1 (0.40) POLBALDH1A1KMT2AHRH3OPRM1
SCHEMBL31661905 0.81 TBXAS1 (0.32) HRH3
SCHEMBL31662250 0.80 HRH3 (0.46) KDM4EHRH3
SCHEMBL31662117 0.77 GRM2 (0.35) SMN1; SMN2LMNAALDH1A1KMT2AKDM4E
SCHEMBL31662136 0.77 HRH3 (0.42) HRH3
SCHEMBL31662424 0.75 PARP10 (0.48) CCNCCDK8ALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO claimed
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed