SCHEMBL31632575

SCHEMBL31632575

Cn1nc(C(=O)N2CC[C@@H](Oc3ccc(C(N)=NO)cc3)C2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.46
PDE2A O00408 1/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
CHEK2 O96017 4/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
KDM1A O60341 1/20 0.38
GRM4 Q14833 2/20 0.38
NAMPT P43490 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RIPK1 Q13546 1/20 0.37

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
SCHEMBL31632571 1.00 RBP4 (0.46) RBP4PDE2ADRD2HTR2ACHEK2
SCHEMBL31632581 0.84 HRH3 (0.49) RBP4PDE2ADRD2HTR2AMMP2
SCHEMBL31632588 0.84 HRH3 (0.49) RBP4PDE2ADRD2HTR2AMMP2
SCHEMBL31632584 0.80 RBP4 (0.44) RBP4PDE2ADRD2HTR2AMMP2
SCHEMBL31632572 0.79 RBP4 (0.43) RBP4PDE2ADRD2HTR2AMMP2
SCHEMBL31632580 0.79 RBP4 (0.43) RBP4PDE2ADRD2HTR2AMMP2
SCHEMBL1811630 0.79 RBP4 (0.54) RBP4DRD2HTR2AMMP2MMP9
SCHEMBL1808676 0.79 RBP4 (0.57) RBP4DRD2HTR2AMMP2MMP9
SCHEMBL31632585 0.76 KCNH2 (0.44) RBP4PDE2ADRD2HTR2AALDH1A1
SCHEMBL31632582 0.76 HSD11B1 (0.48) ALDH1A1LMNAKDM4E

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-2025126129-A1 COMPOUNDS WITH ANTITUMOR ACTIVITY DIRECTED AT THE HIPPO PATHWAY UNIVERSITA' DEGLI STUDI DI MODENA E REGGIO EMILIA (IT) 2025-06-19 WO disclosed