SCHEMBL9739096

SCHEMBL9739096

Cc1cc2c(s1)CCCC1CC(=O)N(c3ccccc3)N=C21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.40
PDE4B Q07343 5/20 0.40
PDE4C Q08493 5/20 0.40
PDE4D Q08499 5/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
DRD3 P35462 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SHMT2 P34897 1/20 0.34

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
SCHEMBL9738208 0.92 GAA (0.34) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL9738054 0.89 MAPT (0.41) KDM4EMAPTMEN1ALDH1A1GAA
SCHEMBL9738168 0.88 APP (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7379907 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9737592 0.77 MAPT (0.36) KDM4EMAPTMEN1ALDH1A1TSHR
SCHEMBL9738670 0.76 ACHE (0.41) MAPTMEN1ALDH1A1GAAKMT2A
SCHEMBL9737943 0.76 APP (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8840956 0.76 GABRP (0.50) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL10367572 0.75 KDM4E (0.44) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8840985 0.74 ACHE (0.34) PDE4APDE4BPDE4CPDE4DMAPT

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
US-5153194-A Anxiolytic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-06 US claimed
US-5153194-A Anxiolytic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-06 US disclosed