SCHEMBL9524898

SCHEMBL9524898

CCCOc1cc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4D Q08499 1/20 0.36
FPR2 P25090 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL9524493 0.87 XDH (0.43) PDE4ATRPV1PDE4BPDE4D
SCHEMBL9700632 0.87 PDE4B (0.35) PDE4AMAPK1MEN1KMT2APOLB
SCHEMBL9701439 0.85 PDE5A (0.33) PDE4AMEN1KMT2APDE4BPDE4D
SCHEMBL9701433 0.85 PDE5A (0.33) PDE4AMEN1KMT2APDE4BPDE4D
SCHEMBL9587677 0.83 PDE4A (0.35) PDE4AMAPK1MEN1KMT2APOLB
SCHEMBL9701474 0.83 CYP1A2 (0.41) MAPK1KDM4EMAPTNPC1ALDH1A1
SCHEMBL9525805 0.82 CDC7 (0.36) MEN1KMT2AKDM4EMAPTALOX12
SCHEMBL9700689 0.82 RAB9A (0.33) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL9588171 0.82 MEN1 (0.36) PDE4AMAPK1MEN1KMT2APOLB
SCHEMBL9700644 0.81 PDE5A (0.38) PDE4AMEN1KMT2APDE4BPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP claimed
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed