SCHEMBL9700632

SCHEMBL9700632

COc1ccc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)cc1OCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.35
PDE4A P27815 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
MAPT P10636 5/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
XDH P47989 2/20 0.35
THRB P10828 1/20 0.34
GUSB P08236 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 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
SCHEMBL9524898 0.87 PDE4A (0.37) PDE4BPDE4APDE4DMAPTKMT2A
SCHEMBL9524493 0.86 XDH (0.43) PDE4BPDE4APDE4CPDE4DXDH
SCHEMBL9700749 0.79 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL9526087 0.78 ALOX5 (0.36) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL9526095 0.78 ALOX5 (0.36) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL9701927 0.76 KDM4E (0.55) PDE4BMAPTKMT2AKDM4EMEN1
SCHEMBL9700635 0.75 GAA (0.39) MAPTKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL9700666 0.74 ALDH1A1 (0.53) KDM4EGAA
SCHEMBL9701439 0.73 PDE5A (0.33) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL9701433 0.73 PDE5A (0.33) PDE4BPDE4APDE4CPDE4DMAPT

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-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO claimed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed