SCHEMBL9701439

SCHEMBL9701439

CC=Cc1cc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)ccc1OCCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KDM4E B2RXH2 2/20 0.32
XBP1 P17861 1/20 0.32
GCGR P47871 1/20 0.31
MEN1 O00255 1/20 0.31
PDE2A O00408 1/20 0.31
PDE6D O43924 1/20 0.31
USP2 O75604 1/20 0.31
PDE9A O76083 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
PDE6A P16499 1/20 0.31
PDE6G P18545 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL9701433 1.00 PDE5A (0.33) PDE5APDE3BPDE3AKDM4EXBP1
SCHEMBL9526087 0.88 ALOX5 (0.36) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL9526095 0.88 ALOX5 (0.36) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL9524898 0.85 PDE4A (0.37) PDE5AKDM4EXBP1MEN1ALDH1A1
SCHEMBL9701474 0.80 CYP1A2 (0.41) KDM4EALDH1A1CYP1A2MAPTHPGD
SCHEMBL9702672 0.80 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL9702682 0.80 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL9700689 0.79 RAB9A (0.33) PDE5AKDM4EGCGRMEN1ALDH1A1
SCHEMBL9526113 0.79 MAPT (0.41) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL9700644 0.79 PDE5A (0.38) PDE5AKDM4EGCGRMEN1PDE2A

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