SCHEMBL31662459

SCHEMBL31662459

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.40
PARP10 Q53GL7 4/20 0.39
CHEK2 O96017 2/20 0.35
PARP15 Q460N3 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP14 Q460N5 1/20 0.33
PARP16 Q8N5Y8 1/20 0.33
PARP11 Q9NR21 1/20 0.33
PARP4 Q9UKK3 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 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
SCHEMBL31662594 0.87 MAPT (0.45) ALDH1A1L3MBTL1CYP3A4CYP2D6CYP2C9
SCHEMBL31662424 0.83 PARP10 (0.48) PARP10PARP15ALDH1A1KMT2APARP14
SCHEMBL31662250 0.82 HRH3 (0.46) HRH3
SCHEMBL31661965 0.82 SCN9A (0.39) TBXAS1CHEK2HRH3OPRM1
SCHEMBL31661860 0.82 POLB (0.42) HRH3ALDH1A1KMT2AOPRM1OPRD1
SCHEMBL31662082 0.81 TBXAS1 (0.34) TBXAS1PARP10CHEK2PARP15HRH3
SCHEMBL31662147 0.81 CYP11B2 (0.39) TBXAS1CHEK2HRH3OPRM1OPRD1
SCHEMBL31662628 0.81 KCNH2 (0.36) TBXAS1CHEK2ALDH1A1KMT2AL3MBTL1
SCHEMBL31661907 0.80 CPT1A (0.34) TBXAS1PARP10CHEK2PARP15HRH3
SCHEMBL31662141 0.80 CPT1A (0.34) TBXAS1PARP10CHEK2PARP15HRH3

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